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EVODEX.1-P2877

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]([H:21]):[C:9]:1[H:22])([H:23])[H:24])([C:10](=[O:11])[O:12][H:25])[H:26])([H:27])[H:28].[H][C:14](=[O:13])[C:15](=[O:16])[O:17][H:29]>>[C:3]([C:4]1:[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]([H:21]):[C:9]:1[H:22])([C:14](=[O:13])[C:15](=[O:16])[O:17][H:29])([H:23])[H:24].[H][C:2]([N:1]([H:27])[H:28])([C:10](=[O:11])[O:12][H:25])[H:26]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E277 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](-[#6@:7](-[#7:8])(-[#6:9])-[H:20])(-[H:21])-[H:22].[#8:12]=[#6:13](-[#6:14]=[#8:15])-[H]>>[#6:7](-[#7:8])(-[#6:9])(-[H:20])-[H].[#6:5]-[#6:6](-[#6:13](=[#8:12])-[#6:14]=[#8:15])(-[H:21])-[H:22]

EVODEX.1-C20 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:1]-[#6@@:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6@@:61]

EVODEX.1-N532 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:1]-[#6@@:2](-[#6:3](-[#6:4])(-[H:28])-[H:29])(-[#6:14])-[H:31].[H]-[#6:18](=[#8:17])-[#6:19]>>[#6:3](-[#6:4])(-[#6:18](=[#8:17])-[#6:19])(-[H:28])-[H:29].[H]-[#6:2](-[#7:1])(-[#6:14])-[H:31]

EVODEX.1-Em542 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#7:1]-[#6:2](-[#6:3]-[#6:4])-[#6:14].[H]-[#6:18](=[#8:17])-[#6:19]=[#8:20]>>[#6:3](-[#6:4])-[#6:18](=[#8:17])-[#6:19]=[#8:20].[H]-[#6:2](-[#7:1])-[#6:14]

EVODEX.1-Cm57 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:1]-[#6:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6:61]

EVODEX.1-Nm491 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#7:1]-[#6:2](-[#6:3]-[#6:4])-[#6:14].[H]-[#6:18](=[#8:17])-[#6:19]>>[#6:3](-[#6:4])-[#6:18](=[#8:17])-[#6:19].[H]-[#6:2](-[#7:1])-[#6:14]

Source Full Reactions

EVODEX.1-R3565

Full Reaction Rendering

[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]([H:21]):[C:9]:1[H:22])([H:23])[H:24])([C:10](=[O:11])[O:12][H:25])[H:26])([H:27])[H:28].[H][C:14](=[O:13])[C:15](=[O:16])[O:17][H:29]>>[C:3]([C:4]1:[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]([H:21]):[C:9]:1[H:22])([C:14](=[O:13])[C:15](=[O:16])[O:17][H:29])([H:23])[H:24].[H][C:2]([N:1]([H:27])[H:28])([C:10](=[O:11])[O:12][H:25])[H:26]