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EVODEX.1-P2823

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:8]([C:7]([C:6]([C@:5]([N:4]([C:2]([C:1]([H:34])([H:35])[H:36])=[O:3])[H:33])([C:10](=[O:11])[O:12][H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([N:9]([H:23])[H:24])[H:25]>>O=[C:8]([C:7]([C:6]([C@:5]([N:4]([C:2]([C:1]([H:34])([H:35])[H:36])=[O:3])[H:33])([C:10](=[O:11])[O:12][H:31])[H:32])([H:29])[H:30])([H:27])[H:28])[H:25].[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:9]([H:23])[H:24]

Derived Operators

EVODEX.1-F60 - Elemental Balance

O5
C5
H6

EVODEX.1-M58 - Mass Difference

146.02147999999997

EVODEX.1-E595 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:20](-[#6@@:19])(-[#7:21](-[H:61])-[H:62])(-[H:63])-[H]>>[#6:20](-[#6@@:19])(=[#8])-[H:63].[#7:21](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:61])-[H:62]

EVODEX.1-C65 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:39]-[#7:40]>>[#8]=[#6:39].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:40]

EVODEX.1-N511 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:2](-[#7:1](-[H:46])-[H:47])(-[#6:3])-[H:44]>>[#8]=[#6:2](-[#6:3])-[H:44].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[H:46])-[H:47]

EVODEX.1-Em108 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:8](-[#7:7])-[#6:9]>>[#6]-[#6](-[H])(-[#6])-[#7:7].[#8]=[#6:8]-[#6:9]

EVODEX.1-Cm20 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:39]-[#7:40]>>[#8]=[#6:39].[#6]-[#7:40]

EVODEX.1-Nm141 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:8](-[#7:7])-[#6:9]>>[#6]-[#6](-[H])(-[#6])-[#7:7].[#8]=[#6:8]-[#6:9]

Source Full Reactions

EVODEX.1-R3521

Full Reaction Rendering

[H][C:8]([C:7]([C:6]([C@:5]([N:4]([C:2]([C:1]([H:34])([H:35])[H:36])=[O:3])[H:33])([C:10](=[O:11])[O:12][H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([N:9]([H:23])[H:24])[H:25].[O:13]=[C:14]([O:15][H:37])[C:16]([C:17]([C:18](=[O:19])[C:20](=[O:21])[O:22][H:38])([H:39])[H:40])([H:41])[H:42]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]([C:8](=[O:19])[H:25])([H:27])[H:28])([H:29])[H:30])([C:10](=[O:11])[O:12][H:31])[H:32])[H:33])([H:34])([H:35])[H:36].[H][C@:18]([N:9]([H:23])[H:24])([C:17]([C:16]([C:14](=[O:13])[O:15][H:37])([H:41])[H:42])([H:39])[H:40])[C:20](=[O:21])[O:22][H:38]