EVODEX.1-P3758 - Partial Reaction

SMIRKS

[H][N:1]([C:2]1:[C:3]([H:39]):[C:4]([H:40]):[C:5]([H:41]):[C:6]([H:42]):[C:7]:1[H:43])[H:44]>>[H]OS(=O)(=O)[N:1]([C:2]1:[C:3]([H:39]):[C:4]([H:40]):[C:5]([H:41]):[C:6]([H:42]):[C:7]:1[H:43])[H:44]

Derived Operators

EVODEX.1-F286 - Elemental Balance

O	3
S	1

EVODEX.1-M143 - Mass Difference

79.9568

EVODEX.1-E1044 - Reaction Operator E

[#7:1](-[#6:2])(-[H:70])-[H]>>[#7:1](-[#6:2])(-[#16](=[#8])(=[#8])-[#8]-[H])-[H:70]

EVODEX.1-C484 - Reaction Operator C

[H]-[#7:1]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#7:1]

EVODEX.1-N594 - Reaction Operator N

[H]-[#7:1](-[#6:2])-[H:66]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#7:1](-[#6:2])-[H:66]

EVODEX.1-Em573 - Reaction Operator Em

[H]-[#7:1]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#7:1]-[#6:2]

EVODEX.1-Cm260 - Reaction Operator Cm

[H]-[#7:1]>>[#16]-[#7:1]

EVODEX.1-Nm519 - Reaction Operator Nm

[H]-[#7:1]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#7:1]-[#6:2]

Source Full Reactions

EVODEX.1-R4623

[H][N:1]([C:2]1:[C:3]([H:39]):[C:4]([H:40]):[C:5]([H:41]):[C:6]([H:42]):[C:7]:1[H:43])[H:44].[N:8]([C:9]1:[N:10]:[C:11]([H:46]):[N:12]:[C:13]2:[C:14]:1:[N:15]:[C:16]([H:47]):[N:17]:2[C@:18]1([H:48])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:49])[O:26][S:27](=[O:28])(=[O:29])[O:30][H:50])([H:51])[H:52])([H:53])[C@:31]([O:32][P:33](=[O:34])([O:35][H:54])[O:36][H:55])([H:56])[C@:37]1([O:38][H:57])[H:58])([H:59])[H:60]>>[H][O:26][P:23]([O:22][C:21]([C@@:20]1([H:53])[O:19][C@:18]([N:17]2:[C:13]3:[N:12]:[C:11]([H:46]):[N:10]:[C:9]([N:8]([H:59])[H:60]):[C:14]:3:[N:15]:[C:16]:2[H:47])([H:48])[C@@:37]([O:38][H:57])([H:58])[C@@:31]1([O:32][P:33](=[O:34])([O:35][H:54])[O:36][H:55])[H:56])([H:51])[H:52])(=[O:24])[O:25][H:49].[N:1]([C:2]1:[C:3]([H:39]):[C:4]([H:40]):[C:5]([H:41]):[C:6]([H:42]):[C:7]:1[H:43])([S:27](=[O:28])(=[O:29])[O:30][H:50])[H:44]