EVODEX.1-P4410

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:45])[C@@:6]([C@:7]([O:8][H:46])([C@:9]([O:10][H:47])([C:11]([O:12][H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[O:13][C@@:14]([O:15][C@@:16]2([H:54])[C@:17]([O:18][H:55])([H:56])[C@:19]([C:20]([O:21][H:57])([H:58])[H:59])([H:60])[O:22][C@:23]([O:24][C@@:25]3([H:61])[C@@:26]([O:27][H:62])([H:63])[C@:28]([O:29][H:64])([H:65])[C@@:30]([O:31][H:66])([H:67])[O:32][C@@:33]3([C:34]([O:35][H:68])([H:69])[H:70])[H:71])([H:72])[C@@:36]2([O:37][H:73])[H:74])([C:38](=[O:39])[O:40][H:75])[C:41]([H:76])([H:77])[C@@:42]1([O:43][H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[H][O:44][H:84]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:45])[C@@:6]([C@:7]([O:8][H:46])([C@:9]([O:10][H:47])([C:11]([O:12][H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[O:13][C@@:14]([C:38](=[O:39])[O:40][H:75])([O:44][H:84])[C:41]([H:76])([H:77])[C@@:42]1([O:43][H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[H][O:15][C@@:16]1([H:54])[C@:17]([O:18][H:55])([H:56])[C@:19]([C:20]([O:21][H:57])([H:58])[H:59])([H:60])[O:22][C@:23]([O:24][C@@:25]2([H:61])[C@@:26]([O:27][H:62])([H:63])[C@:28]([O:29][H:64])([H:65])[C@@:30]([O:31][H:66])([H:67])[O:32][C@@:33]2([C:34]([O:35][H:68])([H:69])[H:70])[H:71])([H:72])[C@@:36]1([O:37][H:73])[H:74]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E226 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:13]-[#6@:14](-[#8:15]-[#6:16])(-[#6:22])-[#6:25].[#8:28](-[H:52])-[H]>>[#8:13]-[#6@:14](-[#6:22])(-[#8:28]-[H:52])-[#6:25].[#8:15](-[#6:16])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N1131 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:13]-[#6@@:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]-[H:75]>>[#8:13]-[#6@@:14](-[#6:36])(-[#8:42]-[H:75])-[#6:39].[H]-[#8:15]-[#6:16]

EVODEX.1-Em633 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]>>[#8:13]-[#6:14](-[#6:36])(-[#8:42])-[#6:39].[H]-[#8:15]-[#6:16]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm568 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]>>[#8:13]-[#6:14](-[#6:36])(-[#8:42])-[#6:39].[H]-[#8:15]-[#6:16]

Source Full Reactions

EVODEX.1-R5248

Full Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:45])[C@@:6]([C@:7]([O:8][H:46])([C@:9]([O:10][H:47])([C:11]([O:12][H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[O:13][C@@:14]([O:15][C@@:16]2([H:54])[C@:17]([O:18][H:55])([H:56])[C@:19]([C:20]([O:21][H:57])([H:58])[H:59])([H:60])[O:22][C@:23]([O:24][C@@:25]3([H:61])[C@@:26]([O:27][H:62])([H:63])[C@:28]([O:29][H:64])([H:65])[C@@:30]([O:31][H:66])([H:67])[O:32][C@@:33]3([C:34]([O:35][H:68])([H:69])[H:70])[H:71])([H:72])[C@@:36]2([O:37][H:73])[H:74])([C:38](=[O:39])[O:40][H:75])[C:41]([H:76])([H:77])[C@@:42]1([O:43][H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[H][O:44][H:84]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:45])[C@@:6]([C@:7]([O:8][H:46])([C@:9]([O:10][H:47])([C:11]([O:12][H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[O:13][C@@:14]([C:38](=[O:39])[O:40][H:75])([O:44][H:84])[C:41]([H:76])([H:77])[C@@:42]1([O:43][H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[H][O:15][C@@:16]1([H:54])[C@:17]([O:18][H:55])([H:56])[C@:19]([C:20]([O:21][H:57])([H:58])[H:59])([H:60])[O:22][C@:23]([O:24][C@@:25]2([H:61])[C@@:26]([O:27][H:62])([H:63])[C@:28]([O:29][H:64])([H:65])[C@@:30]([O:31][H:66])([H:67])[O:32][C@@:33]2([C:34]([O:35][H:68])([H:69])[H:70])[H:71])([H:72])[C@@:36]1([O:37][H:73])[H:74]