EVODEX Logo

EVODEX.1-P572

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:3]([C:2]([N:1]([H:35])[H:36])([H:33])[H:34])([S:4][C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([O:9][H:28]):[C:10]([H:29]):[C:11]:1[H:30])[H:31]>>[H]O[C:3]([C:2]([N:1]([H:35])[H:36])([H:33])[H:34])([S:4][C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([O:9][H:28]):[C:10]([H:29]):[C:11]:1[H:30])[H:31]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E415 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#16:4])(-[H:31])-[H]>>[#6:2]-[#6:3](-[#16:4])(-[#8]-[H])-[H:31]

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]>>[H]-[#8]-[#6:5]

EVODEX.1-N177 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:3](-[#6:2])(-[#16:4])-[H:31]>>[H]-[#8]-[#6:3](-[#6:2])(-[#16:4])-[H:31]

EVODEX.1-Em259 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:3](-[#6:2])-[#16:4]>>[H]-[#8]-[#6:3](-[#6:2])-[#16:4]

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5]>>[#8]-[#6:5]

EVODEX.1-Nm257 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2])-[#16:4]>>[H]-[#8]-[#6:3](-[#6:2])-[#16:4]

Source Full Reactions

EVODEX.1-R542

Full Reaction Rendering

[H][C:3]([C:2]([N:1]([H:35])[H:36])([H:33])[H:34])([S:4][C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([O:9][H:28]):[C:10]([H:29]):[C:11]:1[H:30])[H:31].[H][O:21][C:20]1=[C:22]([O:23][H])[C:13](=[O:12])[O:14][C@@:15]1([C@@:16]([O:17][H:37])([C:18]([O:19][H:38])([H:39])[H:40])[H:41])[H:42].[O:24]=[O:25]>>[H][O:24][C:3]([C:2]([N:1]([H:35])[H:36])([H:33])[H:34])([S:4][C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([O:9][H:28]):[C:10]([H:29]):[C:11]:1[H:30])[H:31].[O:12]=[C:13]1[O:14][C@@:15]([C@@:16]([O:17][H:37])([C:18]([O:19][H:38])([H:39])[H:40])[H:41])([H:42])[C:20](=[O:21])[C:22]1=[O:23].[H][O:25][H]