EVODEX.1-P3060

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:11]([C:12]([C:13]([C@:14]([N:15]([H:19])[H:20])([C:16](=[O:17])[O:18][H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28].[C:1]([C:2]([C:3]([C:4]([H:30])([H:31])[H:32])([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:33])([H:34])[H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41]>>[C:1]([C:11]([C:12]([C:13]([C@:14]([N:15]([H:19])[H:20])([C:16](=[O:17])[O:18][H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:39])([H:40])[H:41].[H][C:2]([C:3]([C:4]([H:30])([H:31])[H:32])([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:33])([H:34])[H:35])[H:36])([H:37])[H:38]

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-R3719

Full Reaction Rendering

[H][C:11]([C:12]([C:13]([C@:14]([N:15]([H:19])[H:20])([C:16](=[O:17])[O:18][H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28].[C:1]([C:2]([C:3]([C:4]([H:30])([H:31])[H:32])([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:33])([H:34])[H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41]>>[C:1]([C:11]([C:12]([C:13]([C@:14]([N:15]([H:19])[H:20])([C:16](=[O:17])[O:18][H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:39])([H:40])[H:41].[H][C:2]([C:3]([C:4]([H:30])([H:31])[H:32])([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:33])([H:34])[H:35])[H:36])([H:37])[H:38]