EVODEX.1-P2897

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])([H:17])([H:18])[H:19].[H][C:13]([C:12]([C:11]([C:10]([C:8]([C:7]([H:36])([H:37])[H:38])([C:9]([H:20])([H:21])[H:22])[H:35])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([C:14]([H:23])([H:24])[H:25])[N:15]([H:26])[H:27]>>[H][C@:2]([C:1]([H:17])([H:18])[H:19])([C:4](=[O:5])[O:6][H:16])[N:15]([H:26])[H:27].[O:3]=[C:13]([C:12]([C:11]([C:10]([C:8]([C:7]([H:36])([H:37])[H:38])([C:9]([H:20])([H:21])[H:22])[H:35])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])[C:14]([H:23])([H:24])[H:25]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E273 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:40](-[#6@:39](-[#6@@:5])(-[#6@:37])-[H])(-[H:70])-[H:71].[#6:45]-[#6:46](=[#8:47])-[#6:48]=[#8:49]>>[#6:39](-[#6@@:5])(-[#6@:37])=[#8:47].[#7:40](-[#6@@:46](-[#6:45])(-[#6:48]=[#8:49])-[H])(-[H:70])-[H:71]

EVODEX.1-C14 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6@:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-N20 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:14](-[#7:13](-[H:37])-[H:38])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6@:8](-[#6:7])(-[#6:10])-[#7:13](-[H:37])-[H:38].[#8:9]=[#6:14](-[#6:15])-[#6:21]

EVODEX.1-Em544 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:14](-[#7:13])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]=[#8:11]>>[H]-[#6:8](-[#6:7])(-[#6:10]=[#8:11])-[#7:13].[#8:9]=[#6:14](-[#6:15])-[#6:21]

EVODEX.1-Cm49 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-Nm75 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:14](-[#7:13])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6:8](-[#6:7])(-[#6:10])-[#7:13].[#8:9]=[#6:14](-[#6:15])-[#6:21]

Source Full Reactions

EVODEX.1-R3580

Full Reaction Rendering

[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])([H:17])([H:18])[H:19].[H][C:13]([C:12]([C:11]([C:10]([C:8]([C:7]([H:36])([H:37])[H:38])([C:9]([H:20])([H:21])[H:22])[H:35])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([C:14]([H:23])([H:24])[H:25])[N:15]([H:26])[H:27]>>[H][C@:2]([C:1]([H:17])([H:18])[H:19])([C:4](=[O:5])[O:6][H:16])[N:15]([H:26])[H:27].[O:3]=[C:13]([C:12]([C:11]([C:10]([C:8]([C:7]([H:36])([H:37])[H:38])([C:9]([H:20])([H:21])[H:22])[H:35])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])[C:14]([H:23])([H:24])[H:25]