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EVODEX.1-P1401

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E127 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#6:2])(-[H:58])(-[H:59])-[H].[#6:5](-[#6:6](-[#6:7])(-[H:96])-[H:97])(-[H:98])(-[H:99])-[H:100]>>[#6:1](-[#6:2])(-[#6:5](-[H:98])(-[H:99])-[H:100])(-[H:58])-[H:59].[#6:6](-[#6:7])(-[H:96])(-[H:97])-[H]

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-N301 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:58])-[H:59].[#6:5](-[#6:6](-[#6:7])(-[H:96])-[H:97])(-[H:98])(-[H:99])-[H:100]>>[#6:1](-[#6:2])(-[#6:5](-[H:98])(-[H:99])-[H:100])(-[H:58])-[H:59].[H]-[#6:6](-[#6:7])(-[H:96])-[H:97]

EVODEX.1-Em422 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[#6:5]-[#6:6]-[#6:7]>>[#6:1](-[#6:2])-[#6:5].[H]-[#6:6]-[#6:7]

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-Nm382 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[#6:5]-[#6:6]-[#6:7]>>[#6:1](-[#6:2])-[#6:5].[H]-[#6:6]-[#6:7]

Source Full Reactions

EVODEX.1-R1913

Full Reaction Rendering

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