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EVODEX.1-P1484

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30](=[C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39](=[O:40])[O:41][C@:42]([C:43]([O:44][C:45](=[O:46])[C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([C:62]([O:63][P:64](=[O:65])([O:66][H:137])[O:67][C:68]([C:69]([N+:70]([C:71]([H:138])([H:139])[H:140])([C:72]([H:141])([H:142])[H:143])[C:73]([H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])[H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([H:176])[H:177])([H:178])[H:179])([H:180])[H:181])([H:182])[H:183])([H:184])([H:185])[H:186]>>[H]C(=C([H])C(=C([H])C([H])([H])O[C:45](=[O:46])[C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])C([H])([H])[H])C([H])=C(C([H])=C([H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H].[H][O:44][C:43]([C@@:42]([O:41][C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31](=[C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:184])([H:185])[H:186])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])[H:169])[H:168])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])=[O:40])([C:62]([O:63][P:64](=[O:65])([O:66][H:137])[O:67][C:68]([C:69]([N+:70]([C:71]([H:138])([H:139])[H:140])([C:72]([H:141])([H:142])[H:143])[C:73]([H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])[H:153])([H:135])[H:136]

Derived Operators

EVODEX.1-F92 - Elemental Balance

C20
O1
H30

EVODEX.1-M62 - Mass Difference

286.2298

EVODEX.1-E669 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:38]-[#6:39](=[#8:40])-[#8:41]-[#6:42]>>[#6](-[#6]1=[#6](-[#6](=[#6](-[#6](-[#6](-[H])(-[H])-[H])=[#6](-[#6](=[#6](-[#6](-[#6](-[H])(-[H])-[H])=[#6](-[#6](-[#8]-[#6:39](-[#6:38])=[#8:40])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])(-[H])(-[H])-[H].[#8:41](-[#6:42])-[H]

EVODEX.1-C1057 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:23]-[#6:24].[#6@:21])>>[H]-[#6](=[#6](-[H])-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#8]-[#6:24])-[#6](-[H])(-[H])-[H])-[#6](-[H])=[#6](-[#6](-[H])=[#6](-[H])-[#6]1=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].([H]-[#8:23].[#6@@:21])

EVODEX.1-N1304 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:20]-[#6@:21](-[#6:22]-[#8:23]-[#6:24](=[#8:25])-[#6:26])(-[#6:41])-[H:123]>>[H]-[#6](=[#6](-[H])-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#8]-[#6:24](=[#8:25])-[#6:26])-[#6](-[H])(-[H])-[H])-[#6](-[H])=[#6](-[#6](-[H])=[#6](-[H])-[#6]1=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:23]-[#6:22]-[#6@@:21](-[#8:20])(-[#6:41])-[H:123]

EVODEX.1-Em94 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:51]-[#8:52]-[#6:53](=[#8:54])-[#6:55]>>[#6]-[#8]-[#6:53](=[#8:54])-[#6:55].[H]-[#8:52]-[#6:51]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm127 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:51]-[#8:52]-[#6:53](=[#8:54])-[#6:55]>>[#6]-[#8]-[#6:53](=[#8:54])-[#6:55].[H]-[#8:52]-[#6:51]

Source Full Reactions

EVODEX.1-R2014

Full Reaction Rendering

[H][O:15][C:14]([C:13](=[C:11]([C:10](=[C:9]([C:8](=[C:6]([C:5](=[C:4]([C:3]1=[C:2]([C:1]([H:101])([H:102])[H:103])[C:21]([H:99])([H:100])[C:20]([H:97])([H:98])[C:19]([H:95])([H:96])[C:16]1([C:17]([H:89])([H:90])[H:91])[C:18]([H:92])([H:93])[H:94])[H:88])[H:87])[C:7]([H:74])([H:75])[H:76])[H:86])[H:85])[H:84])[C:12]([H:77])([H:78])[H:79])[H:83])([H:81])[H:82].[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30](=[C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39](=[O:40])[O:41][C@:42]([C:43]([O:44][C:45](=[O:46])[C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([C:62]([O:63][P:64](=[O:65])([O:66][H:137])[O:67][C:68]([C:69]([N+:70]([C:71]([H:138])([H:139])[H:140])([C:72]([H:141])([H:142])[H:143])[C:73]([H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])[H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([H:176])[H:177])([H:178])[H:179])([H:180])[H:181])([H:182])[H:183])([H:184])([H:185])[H:186]>>[C:1]([C:2]1=[C:3]([C:4](=[C:5]([C:6]([C:7]([H:74])([H:75])[H:76])=[C:8]([C:9](=[C:10]([C:11]([C:12]([H:77])([H:78])[H:79])=[C:13]([C:14]([O:15][C:45](=[O:46])[C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:88])[C:16]([C:17]([H:89])([H:90])[H:91])([C:18]([H:92])([H:93])[H:94])[C:19]([H:95])([H:96])[C:20]([H:97])([H:98])[C:21]1([H:99])[H:100])([H:101])([H:102])[H:103].[H][O:44][C:43]([C@@:42]([O:41][C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31](=[C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:184])([H:185])[H:186])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])[H:169])[H:168])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])=[O:40])([C:62]([O:63][P:64](=[O:65])([O:66][H:137])[O:67][C:68]([C:69]([N+:70]([C:71]([H:138])([H:139])[H:140])([C:72]([H:141])([H:142])[H:143])[C:73]([H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])[H:153])([H:135])[H:136]