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EVODEX.1-P1285

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:25]([C:24]([C:23]([C@:21]([C@@:20]1([H:101])[C:19]([H:84])([H:85])[C:18]([H:82])([H:83])[C@@:16]2([C:17]([H:79])([H:80])[H:81])[C:9]3=[C:8]([C@@:6]4([C:7]([H:65])([H:66])[H:67])[C:5]([H:63])([H:64])[C:4]([H:61])([H:62])[C@@:3]([O:2][C:1]([H:109])([H:110])[H:111])([H:60])[C:13]([C:14]([H:73])([H:74])[H:75])([C:15]([H:76])([H:77])[H:78])[C@:12]4([H:72])[C:11]([H:70])([H:71])[C:10]3([H:68])[H:69])[C:32]([H:107])([H:108])[C:31]([H:105])([H:106])[C@@:29]21[C:30]([H:102])([H:103])[H:104])([C:22]([H:86])([H:87])[H:88])[H:100])([H:98])[H:99])([H:96])[H:97])=[C:26]([C:27]([H:89])([H:90])[H:91])[C:28]([H:92])([H:93])[H:94]>>[H]C([H])=[C:25]([C:24]([C:23]([C@:21]([C@@:20]1([H:101])[C:19]([H:84])([H:85])[C:18]([H:82])([H:83])[C@@:16]2([C:17]([H:79])([H:80])[H:81])[C:9]3=[C:8]([C@@:6]4([C:7]([H:65])([H:66])[H:67])[C:5]([H:63])([H:64])[C:4]([H:61])([H:62])[C@@:3]([O:2][C:1]([H:109])([H:110])[H:111])([H:60])[C:13]([C:14]([H:73])([H:74])[H:75])([C:15]([H:76])([H:77])[H:78])[C@:12]4([H:72])[C:11]([H:70])([H:71])[C:10]3([H:68])[H:69])[C:32]([H:107])([H:108])[C:31]([H:105])([H:106])[C@@:29]21[C:30]([H:102])([H:103])[H:104])([C:22]([H:86])([H:87])[H:88])[H:100])([H:98])[H:99])([H:96])[H:97])[C:26]([H])([C:27]([H:89])([H:90])[H:91])[C:28]([H:92])([H:93])[H:94]

Derived Operators

EVODEX.1-F94 - Elemental Balance

C1
H2

EVODEX.1-M22 - Mass Difference

14.01566

EVODEX.1-E678 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4](-[#6:5])-[H]>>[#6:1]-[#6:2](-[#6:3])(-[#6:4](-[#6:5])=[#6](-[H])-[H])-[H]

EVODEX.1-C258 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:25]=[#6:26]>>[H]-[#6](-[H])=[#6:25]-[#6:26]-[H]

EVODEX.1-N277 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:25](-[#6:24])=[#6:26](-[#6:27])-[#6:28]>>[H]-[#6](-[H])=[#6:25](-[#6:24])-[#6:26](-[H])(-[#6:27])-[#6:28]

EVODEX.1-Em402 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:25](-[#6:24])=[#6:26](-[#6:27])-[#6:28]>>[H]-[#6](-[H])=[#6:25](-[#6:24])-[#6:26](-[H])(-[#6:27])-[#6:28]

EVODEX.1-Cm230 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:25]=[#6:26]>>[#6]=[#6:25]-[#6:26]-[H]

EVODEX.1-Nm362 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:25](-[#6:24])=[#6:26](-[#6:27])-[#6:28]>>[H]-[#6](-[H])=[#6:25](-[#6:24])-[#6:26](-[H])(-[#6:27])-[#6:28]

Source Full Reactions

EVODEX.1-R1633

Full Reaction Rendering

[H][C:25]([C:24]([C:23]([C@:21]([C@@:20]1([H:101])[C:19]([H:84])([H:85])[C:18]([H:82])([H:83])[C@@:16]2([C:17]([H:79])([H:80])[H:81])[C:9]3=[C:8]([C@@:6]4([C:7]([H:65])([H:66])[H:67])[C:5]([H:63])([H:64])[C:4]([H:61])([H:62])[C@@:3]([O:2][C:1]([H:109])([H:110])[H:111])([H:60])[C:13]([C:14]([H:73])([H:74])[H:75])([C:15]([H:76])([H:77])[H:78])[C@:12]4([H:72])[C:11]([H:70])([H:71])[C:10]3([H:68])[H:69])[C:32]([H:107])([H:108])[C:31]([H:105])([H:106])[C@@:29]21[C:30]([H:102])([H:103])[H:104])([C:22]([H:86])([H:87])[H:88])[H:100])([H:98])[H:99])([H:96])[H:97])=[C:26]([C:27]([H:89])([H:90])[H:91])[C:28]([H:92])([H:93])[H:94].[H][C:33]([S+:34]([C:35]([C:36]([C@:37]([N:38]([H:112])[H:113])([C:39](=[O:40])[O:41][H:114])[H:115])([H:116])[H:117])([H:118])[H:119])[C:42]([C@@:43]1([H:120])[O:44][C@:45]([N:46]2:[C:47]([H:121]):[N:48]:[C:49]3:[C:50]([N:51]([H:122])[H:123]):[N:52]:[C:53]([H:124]):[N:54]:[C:55]:2:3)([H:125])[C@@:56]([O:57][H:126])([H:127])[C@@:58]1([O:59][H:128])[H:129])([H:130])[H:131])([H:132])[H:133]>>[H][C:26]([C:25]([C:24]([C:23]([C@:21]([C@@:20]1([H:101])[C:19]([H:84])([H:85])[C:18]([H:82])([H:83])[C@@:16]2([C:17]([H:79])([H:80])[H:81])[C:9]3=[C:8]([C@@:6]4([C:7]([H:65])([H:66])[H:67])[C:5]([H:63])([H:64])[C:4]([H:61])([H:62])[C@@:3]([O:2][C:1]([H:109])([H:110])[H:111])([H:60])[C:13]([C:14]([H:73])([H:74])[H:75])([C:15]([H:76])([H:77])[H:78])[C@:12]4([H:72])[C:11]([H:70])([H:71])[C:10]3([H:68])[H:69])[C:32]([H:107])([H:108])[C:31]([H:105])([H:106])[C@@:29]21[C:30]([H:102])([H:103])[H:104])([C:22]([H:86])([H:87])[H:88])[H:100])([H:98])[H:99])([H:96])[H:97])=[C:33]([H:132])[H:133])([C:27]([H:89])([H:90])[H:91])[C:28]([H:92])([H:93])[H:94].[HH].[S:34]([C:35]([C:36]([C@:37]([N:38]([H:112])[H:113])([C:39](=[O:40])[O:41][H:114])[H:115])([H:116])[H:117])([H:118])[H:119])[C:42]([C@@:43]1([H:120])[O:44][C@:45]([N:46]2:[C:47]([H:121]):[N:48]:[C:49]3:[C:50]([N:51]([H:122])[H:123]):[N:52]:[C:53]([H:124]):[N:54]:[C:55]:2:3)([H:125])[C@@:56]([O:57][H:126])([H:127])[C@@:58]1([O:59][H:128])[H:129])([H:130])[H:131]