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EVODEX.1-P1257

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:4](=[C:2]([C:1]([H:100])([H:101])[H:102])[C:3]([H:57])([H:58])[H:59])[C:5]([C:6]([C@@:7]([C:8]([H:60])([H:61])[H:62])([C@@:9]1([H:63])[C:10]([H:64])([H:65])[C:11]([H:66])([H:67])[C@@:12]2([C:13]([H:68])([H:69])[H:70])[C:14]3=[C:15]([C:16]([H:71])([H:72])[C:17]([H:73])([H:74])[C@:18]12[C:19]([H:75])([H:76])[H:77])[C@@:20]1([C:21]([H:78])([H:79])[H:80])[C:22]([H:81])([H:82])[C:23]([H:83])([H:84])[C@@:24]([O:25][H:85])([H:86])[C:26]([H:87])([H:88])[C@:27]1([H:89])[C:28]([H:90])([H:91])[C:29]3([H:92])[H:93])[H:94])([H:95])[H:96])([H:97])[H:98]>>[H]C([H])=[C:4]([C:2]([H])([C:1]([H:100])([H:101])[H:102])[C:3]([H:57])([H:58])[H:59])[C:5]([C:6]([C@@:7]([C:8]([H:60])([H:61])[H:62])([C@@:9]1([H:63])[C:10]([H:64])([H:65])[C:11]([H:66])([H:67])[C@@:12]2([C:13]([H:68])([H:69])[H:70])[C:14]3=[C:15]([C:16]([H:71])([H:72])[C:17]([H:73])([H:74])[C@:18]12[C:19]([H:75])([H:76])[H:77])[C@@:20]1([C:21]([H:78])([H:79])[H:80])[C:22]([H:81])([H:82])[C:23]([H:83])([H:84])[C@@:24]([O:25][H:85])([H:86])[C:26]([H:87])([H:88])[C@:27]1([H:89])[C:28]([H:90])([H:91])[C:29]3([H:92])[H:93])[H:94])([H:95])[H:96])([H:97])[H:98]

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-R1324

Full Reaction Rendering

[H][C:4](=[C:2]([C:1]([H:100])([H:101])[H:102])[C:3]([H:57])([H:58])[H:59])[C:5]([C:6]([C@@:7]([C:8]([H:60])([H:61])[H:62])([C@@:9]1([H:63])[C:10]([H:64])([H:65])[C:11]([H:66])([H:67])[C@@:12]2([C:13]([H:68])([H:69])[H:70])[C:14]3=[C:15]([C:16]([H:71])([H:72])[C:17]([H:73])([H:74])[C@:18]12[C:19]([H:75])([H:76])[H:77])[C@@:20]1([C:21]([H:78])([H:79])[H:80])[C:22]([H:81])([H:82])[C:23]([H:83])([H:84])[C@@:24]([O:25][H:85])([H:86])[C:26]([H:87])([H:88])[C@:27]1([H:89])[C:28]([H:90])([H:91])[C:29]3([H:92])[H:93])[H:94])([H:95])[H:96])([H:97])[H:98].[H][C:30]([S+:31]([C:32]([C:33]([C@:34]([N:35]([H:103])[H:104])([C:36](=[O:37])[O:38][H:105])[H:106])([H:107])[H:108])([H:109])[H:110])[C:39]([C@@:40]1([H:111])[O:41][C@:42]([N:43]2:[C:44]([H:112]):[N:45]:[C:46]3:[C:47]([N:48]([H:113])[H:114]):[N:49]:[C:50]([H:115]):[N:51]:[C:52]:2:3)([H:116])[C@@:53]([O:54][H:117])([H:118])[C@@:55]1([O:56][H:119])[H:120])([H:121])[H:122])([H:123])[H:124]>>[H][C:2]([C:1]([H:100])([H:101])[H:102])([C:3]([H:57])([H:58])[H:59])[C:4]([C:5]([C:6]([C@@:7]([C:8]([H:60])([H:61])[H:62])([C@@:9]1([H:63])[C:10]([H:64])([H:65])[C:11]([H:66])([H:67])[C@@:12]2([C:13]([H:68])([H:69])[H:70])[C:14]3=[C:15]([C:16]([H:71])([H:72])[C:17]([H:73])([H:74])[C@:18]12[C:19]([H:75])([H:76])[H:77])[C@@:20]1([C:21]([H:78])([H:79])[H:80])[C:22]([H:81])([H:82])[C:23]([H:83])([H:84])[C@@:24]([O:25][H:85])([H:86])[C:26]([H:87])([H:88])[C@:27]1([H:89])[C:28]([H:90])([H:91])[C:29]3([H:92])[H:93])[H:94])([H:95])[H:96])([H:97])[H:98])=[C:30]([H:123])[H:124].[HH].[S:31]([C:32]([C:33]([C@:34]([N:35]([H:103])[H:104])([C:36](=[O:37])[O:38][H:105])[H:106])([H:107])[H:108])([H:109])[H:110])[C:39]([C@@:40]1([H:111])[O:41][C@:42]([N:43]2:[C:44]([H:112]):[N:45]:[C:46]3:[C:47]([N:48]([H:113])[H:114]):[N:49]:[C:50]([H:115]):[N:51]:[C:52]:2:3)([H:116])[C@@:53]([O:54][H:117])([H:118])[C@@:55]1([O:56][H:119])[H:120])([H:121])[H:122]