EVODEX.1-P4487

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C:16]([O:17][H:36])([C:18]([C:19]([O:20][C@@:21]1([H:37])[O:22][C@@:23]([C:24]([O:25][H:38])([H:39])[H:40])([H:41])[C@:26]([O:27][H:42])([H:43])[C@@:28]([O:29][H:44])([H:45])[C@:30]1([O:31][H:46])[H:47])([H:48])[H:49])([N:32]([C:33]([C:34]([H:50])([H:51])[H:52])([H:53])[H:54])[H:55])[H:56])[H:57])[H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])([H:85])[H:86].[H][O:35][H:87]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C:16]([O:17][H:36])([C:18]([C:19]([O:35][H:87])([H:48])[H:49])([N:32]([C:33]([C:34]([H:50])([H:51])[H:52])([H:53])[H:54])[H:55])[H:56])[H:57])[H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])([H:85])[H:86].[H][O:20][C:21]1([H:37])[O:22][C@@:23]([C:24]([O:25][H:38])([H:39])[H:40])([H:41])[C@:26]([O:27][H:42])([H:43])[C@@:28]([O:29][H:44])([H:45])[C@:30]1([O:31][H:46])[H:47]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E216 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#8:6]-[#6@:7](-[H:19])(-[#8:8])-[#6@:16])(-[H:30])-[H:31].[#8:18](-[H:41])-[H]>>[#6:4]-[#6:5](-[#8:18]-[H:41])(-[H:30])-[H:31].[#8:6](-[#6:7](-[H:19])(-[#8:8])-[#6@:16])-[H]

EVODEX.1-C37 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:19]-[#8:20]-[#6@@:21].[H]-[#8:35]>>[#6:19]-[#8:35].[H]-[#8:20]-[#6:21]

EVODEX.1-N680 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:18]-[#6:19](-[#8:20]-[#6@@:21](-[H:37])(-[#8:22])-[#6@:30])(-[H:48])-[H:49].[H]-[#8:35]-[H:87]>>[#6:18]-[#6:19](-[#8:35]-[H:87])(-[H:48])-[H:49].[H]-[#8:20]-[#6:21](-[H:37])(-[#8:22])-[#6@:30]

EVODEX.1-Em117 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2]-[#8:3]-[#6:4].[H]-[#8:13]>>[#6:1]-[#6:2]-[#8:13].[H]-[#8:3]-[#6:4]

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-Nm151 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2]-[#8:3]-[#6:4].[H]-[#8:13]>>[#6:1]-[#6:2]-[#8:13].[H]-[#8:3]-[#6:4]

Source Full Reactions

EVODEX.1-R5327

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C:16]([O:17][H:36])([C:18]([C:19]([O:20][C@@:21]1([H:37])[O:22][C@@:23]([C:24]([O:25][H:38])([H:39])[H:40])([H:41])[C@:26]([O:27][H:42])([H:43])[C@@:28]([O:29][H:44])([H:45])[C@:30]1([O:31][H:46])[H:47])([H:48])[H:49])([N:32]([C:33]([C:34]([H:50])([H:51])[H:52])([H:53])[H:54])[H:55])[H:56])[H:57])[H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])([H:85])[H:86].[H][O:35][H:87]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C:16]([O:17][H:36])([C:18]([C:19]([O:35][H:87])([H:48])[H:49])([N:32]([C:33]([C:34]([H:50])([H:51])[H:52])([H:53])[H:54])[H:55])[H:56])[H:57])[H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])([H:85])[H:86].[H][O:20][C:21]1([H:37])[O:22][C@@:23]([C:24]([O:25][H:38])([H:39])[H:40])([H:41])[C@:26]([O:27][H:42])([H:43])[C@@:28]([O:29][H:44])([H:45])[C@:30]1([O:31][H:46])[H:47]