EVODEX Logo

EVODEX.1-P2849

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])[C:8]([C@:9]([N:10]([H:18])[H:19])([C:11](=[O:12])[O:13][H:20])[H:21])([H:22])[H:23]>>[H][C:8]([C@:9]([N:10]([H:18])[H:19])([C:11](=[O:12])[O:13][H:20])[H:21])([H:22])[H:23]

Derived Operators

EVODEX.1-F93 - Elemental Balance

C-1
H-2

EVODEX.1-M40 - Mass Difference

-14.01566

EVODEX.1-E671 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6:6](-[#6:7])(-[H:96])-[H:97])(-[H])(-[H])-[H]>>[#6:6](-[#6:7])(-[H:96])(-[H:97])-[H]

EVODEX.1-C127 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#6@@:2]>>[H]-[#6:2]

EVODEX.1-N521 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6:6](-[#6:7])(-[H:96])-[H:97]>>[H]-[#6:6](-[#6:7])(-[H:96])-[H:97]

EVODEX.1-Em539 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6](-[H])(-[H])-[#6:6]-[#6:7]>>[H]-[#6:6]-[#6:7]

EVODEX.1-Cm30 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#6:6]>>[H]-[#6:6]

EVODEX.1-Nm488 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6](-[H])(-[H])-[#6:6]-[#6:7]>>[H]-[#6:6]-[#6:7]

Source Full Reactions

EVODEX.1-R3687

Full Reaction Rendering

[H][C:2]([C:1]([H:21])([H:22])[H:23])([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:16])([H:17])[H:18])[H:19].[C:9]([C:10]([C@:11]([N:12]([H:24])[H:25])([C:13](=[O:14])[O:15][H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32]>>[H][C:10]([C@:11]([N:12]([H:24])[H:25])([C:13](=[O:14])[O:15][H:26])[H:27])([H:28])[H:29].[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:16])([H:17])[H:18])([C:9]([H:30])([H:31])[H:32])[H:19])([H:21])([H:22])[H:23]

EVODEX.1-R3541

Full Reaction Rendering

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