EVODEX Logo

EVODEX.1-P2806

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E164 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#6:2])(-[H:61])(-[H:62])-[H].[#6:53]-[#6:55](-[#6:56](-[#6:57])(-[H:86])-[H:87])(-[H:88])-[H:89]>>[#6:1](-[#6:2])(-[#6:56](-[#6:57])(-[H:86])-[H:87])(-[H:61])-[H:62].[#6:53]-[#6:55](-[H:88])(-[H:89])-[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-N505 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6@:2])(-[H:21])-[H:22].[#6:9]-[#6:10](-[#6:11](-[#6:12])(-[H:25])-[H:26])(-[H:27])-[H:28]>>[#6:1](-[#6@:2])(-[#6:10](-[#6:9])(-[H:27])-[H:28])(-[H:21])-[H:22].[H]-[#6:11](-[#6:12])(-[H:25])-[H:26]

EVODEX.1-Em535 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[#6:9]-[#6:10]-[#6:11]-[#6:12]>>[#6:1](-[#6:2])-[#6:10]-[#6:9].[H]-[#6:11]-[#6:12]

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-Nm486 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[#6:9]-[#6:10]-[#6:11]-[#6:12]>>[#6:1](-[#6:2])-[#6:10]-[#6:9].[H]-[#6:11]-[#6:12]

Source Full Reactions

EVODEX.1-R3504

Full Reaction Rendering

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