EVODEX.1-P5453 - Partial Reaction

SMIRKS

[H][N:9]([C:8]1:[C:7]([H:23]):[C:6]([H:22]):[C:5]([S:2]([C:1]([H:28])([H:29])[H:30])(=[O:3])=[O:4]):[C:11]([H:27]):[C:10]:1[H:26])[H:24]>>[H]C1:C([H]):C([H]):C(C([H])([H])C(=O)[N:9]([C:8]2:[C:7]([H:23]):[C:6]([H:22]):[C:5]([S:2]([C:1]([H:28])([H:29])[H:30])(=[O:3])=[O:4]):[C:11]([H:27]):[C:10]:2[H:26])[H:24]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F214 - Elemental Balance

C	8
O	1
H	6

EVODEX.1-M284 - Mass Difference

118.04188

EVODEX.1-E921 - Reaction Operator E

[#7:1](-[#6:2])(-[H:28])-[H]>>[#7:1](-[#6:2])(-[#6](=[#8])-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H:28]

EVODEX.1-C682 - Reaction Operator C

[H]-[#7:1]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7:1]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-N840 - Reaction Operator N

[H]-[#7:1](-[#6@@:2])-[H:28]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7:1](-[#6@@:2])-[H:28]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-Em4 - Reaction Operator Em

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

EVODEX.1-Cm5 - Reaction Operator Cm

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

EVODEX.1-Nm4 - Reaction Operator Nm

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

Source Full Reactions

EVODEX.1-R6199

[H][N:9]([C:8]1:[C:7]([H:23]):[C:6]([H:22]):[C:5]([S:2]([C:1]([H:28])([H:29])[H:30])(=[O:3])=[O:4]):[C:11]([H:27]):[C:10]:1[H:26])[H:24].[O:12]=[C:13]([O:14][H:31])[C:15]([C:16]1:[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]:1[H:36])([H:37])[H:38]>>[C:1]([S:2](=[O:3])(=[O:4])[C:5]1:[C:6]([H:22]):[C:7]([H:23]):[C:8]([N:9]([C:13](=[O:12])[C:15]([C:16]2:[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]:2[H:36])([H:37])[H:38])[H:24]):[C:10]([H:26]):[C:11]:1[H:27])([H:28])([H:29])[H:30].[H][O:14][H:31]