EVODEX.1-P4321

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E258 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:7]-[#6@:8](-[#8:9]-[#6@:10](-[H:30])(-[#8:11])-[#6@:19])(-[H:41])-[#6@@:21].[#8:28](-[H:53])-[H]>>[#8:7]-[#6@:8](-[#8:28]-[H:53])(-[H:41])-[#6@@:21].[#8:9](-[#6:10](-[H:30])(-[#8:11])-[#6@:19])-[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-N1127 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#6@@:4](-[#8:5]-[#6@:6](-[H:39])(-[#8:7])-[#6@:15])(-[H:50])-[#8:17].[H]-[#8:38]-[H:71]>>[#6:3]-[#6@@:4](-[#8:38]-[H:71])(-[H:50])-[#8:17].[H]-[#8:5]-[#6:6](-[H:39])(-[#8:7])-[#6@:15]

EVODEX.1-Em32 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]

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-Nm33 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]

Source Full Reactions

EVODEX.1-R5167

Full Reaction Rendering

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