EVODEX Logo

EVODEX.1-N276

SMIRKS

Operator SMIRKS Rendering

[H]-[#6:4](=[#6:2](-[#6:1])-[#6:3])-[#6:5].[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:32](-[H])(-[H:127])-[H:128]>>[H]-[#6:2](-[#6:1])(-[#6:3])-[#6:4](-[#6:5])=[#6:32](-[H:127])-[H:128]

Source Partial Reactions

EVODEX.1-P1247

Partial Reaction Rendering

[H][C:4](=[C:2]([C:1]([H:106])([H:107])[H:108])[C:3]([H:59])([H:60])[H:61])[C:5]([C:6]([C@@:7]([C:8]([H:62])([H:63])[H:64])([C@@:9]1([H:65])[C:10]([H:66])([H:67])[C:11]([H:68])([H:69])[C@@:12]2([C:13]([H:70])([H:71])[H:72])[C@:14]3([H:73])[C:15]([H:74])([H:75])[C:16]([H:76])([H:77])[C@:17]4([H:78])[C:18]([C:19]([H:79])([H:80])[H:81])([C:20]([H:82])([H:83])[H:84])[C@:21]([O:22][H:85])([H:86])[C:23]([H:87])([H:88])[C:24]([H:89])([H:90])[C@@:25]45[C:26]([H:91])([H:92])[C@@:27]35[C:28]([H:93])([H:94])[C:29]([H:95])([H:96])[C@:30]12[C:31]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104].[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:32]([H])([H:129])[H:130]>>[H][C:2]([C:1]([H:106])([H:107])[H:108])([C:3]([H:59])([H:60])[H:61])[C:4]([C:5]([C:6]([C@@:7]([C:8]([H:62])([H:63])[H:64])([C@@:9]1([H:65])[C:10]([H:66])([H:67])[C:11]([H:68])([H:69])[C@@:12]2([C:13]([H:70])([H:71])[H:72])[C@:14]3([H:73])[C:15]([H:74])([H:75])[C:16]([H:76])([H:77])[C@:17]4([H:78])[C:18]([C:19]([H:79])([H:80])[H:81])([C:20]([H:82])([H:83])[H:84])[C@:21]([O:22][H:85])([H:86])[C:23]([H:87])([H:88])[C:24]([H:89])([H:90])[C@@:25]45[C:26]([H:91])([H:92])[C@@:27]35[C:28]([H:93])([H:94])[C:29]([H:95])([H:96])[C@:30]12[C:31]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104])=[C:32]([H:129])[H:130]

EVODEX.1-P1251

Partial Reaction Rendering

[H][C:3](=[C:2]([C:1]([H:103])([H:104])[H:105])[C:30]([F:31])([F:32])[H:102])[C:4]([C:5]([C@@:6]([C:7]([H:60])([H:61])[H:62])([C@@:8]1([H:63])[C:9]([H:64])([H:65])[C:10]([H:66])([H:67])[C@@:11]2([H:68])[C@:12]3([H:69])[C:13]([H:70])([H:71])[C:14]([H:72])([H:73])[C@@:15]4([H:74])[C:16]([C:17]([H:75])([H:76])[H:77])([C:18]([H:78])([H:79])[H:80])[C@:19]([O:20][H:81])([H:82])[C:21]([H:83])([H:84])[C:22]([H:85])([H:86])[C@@:23]45[C:24]([H:87])([H:88])[C@@:25]35[C:26]([H:89])([H:90])[C:27]([H:91])([H:92])[C@:28]12[C:29]([H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100].[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:33]([H])([H:126])[H:127]>>[H][C:2]([C:1]([H:103])([H:104])[H:105])([C:3]([C:4]([C:5]([C@@:6]([C:7]([H:60])([H:61])[H:62])([C@@:8]1([H:63])[C:9]([H:64])([H:65])[C:10]([H:66])([H:67])[C@@:11]2([H:68])[C@:12]3([H:69])[C:13]([H:70])([H:71])[C:14]([H:72])([H:73])[C@@:15]4([H:74])[C:16]([C:17]([H:75])([H:76])[H:77])([C:18]([H:78])([H:79])[H:80])[C@:19]([O:20][H:81])([H:82])[C:21]([H:83])([H:84])[C:22]([H:85])([H:86])[C@@:23]45[C:24]([H:87])([H:88])[C@@:25]35[C:26]([H:89])([H:90])[C:27]([H:91])([H:92])[C@:28]12[C:29]([H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])=[C:33]([H:126])[H:127])[C:30]([F:31])([F:32])[H:102]

EVODEX.1-P1253

Partial Reaction Rendering

[H][C:5](=[C:3]([C:2]([C:1]([H:109])([H:110])[H:111])([H:107])[H:108])[C:4]([H:60])([H:61])[H:62])[C:6]([C:7]([C@@:8]([C:9]([H:63])([H:64])[H:65])([C@@:10]1([H:66])[C:11]([H:67])([H:68])[C:12]([H:69])([H:70])[C@@:13]2([C:14]([H:71])([H:72])[H:73])[C@:15]3([H:74])[C:16]([H:75])([H:76])[C:17]([H:77])([H:78])[C@@:18]4([H:79])[C:19]([C:20]([H:80])([H:81])[H:82])([C:21]([H:83])([H:84])[H:85])[C@:22]([O:23][H:86])([H:87])[C:24]([H:88])([H:89])[C:25]([H:90])([H:91])[C@@:26]45[C:27]([H:92])([H:93])[C@@:28]35[C:29]([H:94])([H:95])[C:30]([H:96])([H:97])[C@:31]12[C:32]([H:98])([H:99])[H:100])[H:101])([H:102])[H:103])([H:104])[H:105].[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:33]([H])([H:132])[H:133]>>[H][C:3]([C:2]([C:1]([H:109])([H:110])[H:111])([H:107])[H:108])([C:4]([H:60])([H:61])[H:62])[C:5]([C:6]([C:7]([C@@:8]([C:9]([H:63])([H:64])[H:65])([C@@:10]1([H:66])[C:11]([H:67])([H:68])[C:12]([H:69])([H:70])[C@@:13]2([C:14]([H:71])([H:72])[H:73])[C@:15]3([H:74])[C:16]([H:75])([H:76])[C:17]([H:77])([H:78])[C@@:18]4([H:79])[C:19]([C:20]([H:80])([H:81])[H:82])([C:21]([H:83])([H:84])[H:85])[C@:22]([O:23][H:86])([H:87])[C:24]([H:88])([H:89])[C:25]([H:90])([H:91])[C@@:26]45[C:27]([H:92])([H:93])[C@@:28]35[C:29]([H:94])([H:95])[C:30]([H:96])([H:97])[C@:31]12[C:32]([H:98])([H:99])[H:100])[H:101])([H:102])[H:103])([H:104])[H:105])=[C:33]([H:132])[H:133]

EVODEX.1-P1259

Partial Reaction Rendering

[H][C:4](=[C:2]([C:1]([H:97])([H:98])[H:99])[C:3]([H:56])([H:57])[H:58])[C:5]([C:6]([C@@:7]([C:8]([H:59])([H:60])[H:61])([C@@:9]1([H:62])[C:10]([H:63])([H:64])[C:11]([H:65])([H:66])[C@@:12]2([H:67])[C@:13]3([H:68])[C:14]([H:69])([H:70])[C:15]([H:71])=[C:16]4[C:17]([H:72])([H:73])[C@:18]([O:19][H:74])([H:75])[C:20]([H:76])([H:77])[C:21]([H:78])([H:79])[C@:22]4([C:23]([H:80])([H:81])[H:82])[C@@:24]3([H:83])[C:25]([H:84])([H:85])[C:26]([H:86])([H:87])[C@:27]12[C:28]([H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95].[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:29]([H])([H:120])[H:121]>>[H][C:2]([C:1]([H:97])([H:98])[H:99])([C:3]([H:56])([H:57])[H:58])[C:4]([C:5]([C:6]([C@@:7]([C:8]([H:59])([H:60])[H:61])([C@@:9]1([H:62])[C:10]([H:63])([H:64])[C:11]([H:65])([H:66])[C@@:12]2([H:67])[C@:13]3([H:68])[C:14]([H:69])([H:70])[C:15]([H:71])=[C:16]4[C:17]([H:72])([H:73])[C@:18]([O:19][H:74])([H:75])[C:20]([H:76])([H:77])[C:21]([H:78])([H:79])[C@:22]4([C:23]([H:80])([H:81])[H:82])[C@@:24]3([H:83])[C:25]([H:84])([H:85])[C:26]([H:86])([H:87])[C@:27]12[C:28]([H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95])=[C:29]([H:120])[H:121]

EVODEX.1-P1286

Partial Reaction Rendering

[H][C:4](=[C:2]([C:1]([H:104])([H:105])[H:106])[C:3]([H:59])([H:60])[H:61])[C:5]([C:6]([C@@:7]([C:8]([H:62])([H:63])[H:64])([C@@:9]1([H:65])[C:10]([H:66])([H:67])[C:11]([H:68])([H:69])[C@@:12]2([C:13]([H:70])([H:71])[H:72])[C:14]3=[C:15]([C:16]([H:73])([H:74])[C:17]([H:75])([H:76])[C@:18]12[C:19]([H:77])([H:78])[H:79])[C@@:20]1([C:21]([H:80])([H:81])[H:82])[C:22]([H:83])([H:84])[C:23]([H:85])([H:86])[C:24](=[O:25])[C:26]([C:27]([H:87])([H:88])[H:89])([C:28]([H:90])([H:91])[H:92])[C@:29]1([H:93])[C:30]([H:94])([H:95])[C:31]3([H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102].[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:32]([H])([H:127])[H:128]>>[H][C:2]([C:1]([H:104])([H:105])[H:106])([C:3]([H:59])([H:60])[H:61])[C:4]([C:5]([C:6]([C@@:7]([C:8]([H:62])([H:63])[H:64])([C@@:9]1([H:65])[C:10]([H:66])([H:67])[C:11]([H:68])([H:69])[C@@:12]2([C:13]([H:70])([H:71])[H:72])[C:14]3=[C:15]([C:16]([H:73])([H:74])[C:17]([H:75])([H:76])[C@:18]12[C:19]([H:77])([H:78])[H:79])[C@@:20]1([C:21]([H:80])([H:81])[H:82])[C:22]([H:83])([H:84])[C:23]([H:85])([H:86])[C:24](=[O:25])[C:26]([C:27]([H:87])([H:88])[H:89])([C:28]([H:90])([H:91])[H:92])[C@:29]1([H:93])[C:30]([H:94])([H:95])[C:31]3([H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])=[C:32]([H:127])[H:128]