EVODEX.1-P6899 - Partial Reaction

SMIRKS

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:19][C:20](=[O:21])[C:22]([C:23]([C:24]([C:25]([C@:26]1([H:48])[C:27]([H:49])([H:50])[C:28]([H:51])([H:52])[S:29][S:30]1)([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60]>>[H][O:19][C:20](=[O:21])[C:22]([C:23]([C:24]([C:25]([C@:26]1([H:48])[C:27]([H:49])([H:50])[C:28]([H:51])([H:52])[S:29][S:30]1)([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60]

Derived Operators

EVODEX.1-F123 - Elemental Balance

P	-1
O	-6
C	-10
N	-5
H	-12

EVODEX.1-M64 - Mass Difference

-329.05266

EVODEX.1-E750 - Reaction Operator E

[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:19]-[#6:20])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:19](-[#6:20])-[H]

EVODEX.1-C93 - Reaction Operator C

[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:50]>>[H]-[#8:50]

EVODEX.1-N147 - Reaction Operator N

EVODEX.1-Em79 - Reaction Operator Em

[#8]-[#15](=[#8])(-[#8])-[#8:19]-[#6:20]>>[H]-[#8:19]-[#6:20]

EVODEX.1-Cm44 - Reaction Operator Cm

[#15]-[#8:50]>>[H]-[#8:50]

EVODEX.1-Nm100 - Reaction Operator Nm

[#8]-[#15](=[#8])(-[#8])-[#8:19]-[#6:20]>>[H]-[#8:19]-[#6:20]

Source Full Reactions

EVODEX.1-R7541

[N:1]([C:2]1:[N:3]:[C:4]([H:44]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:45]):[N:10]:2[C@:11]1([H:46])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:19][C:20](=[O:21])[C:22]([C:23]([C:24]([C:25]([C@:26]2([H:48])[C:27]([H:49])([H:50])[C:28]([H:51])([H:52])[S:29][S:30]2)([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[C@:31]([O:32][H:64])([H:65])[C@:33]1([O:34][H:66])[H:67])([H:68])[H:69].[H][O:37][P:36](=[O:35])([O:38][H:71])[O:39][P:40](=[O:41])([O:42][H:72])[O:43][H:73]>>[N:1]([C:2]1:[N:3]:[C:4]([H:44]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:45]):[N:10]:2[C@:11]1([H:46])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:37][P:36](=[O:35])([O:38][H:71])[O:39][P:40](=[O:41])([O:42][H:72])[O:43][H:73])([H:61])[H:62])([H:63])[C@:31]([O:32][H:64])([H:65])[C@:33]1([O:34][H:66])[H:67])([H:68])[H:69].[H][O:19][C:20](=[O:21])[C:22]([C:23]([C:24]([C:25]([C@:26]1([H:48])[C:27]([H:49])([H:50])[C:28]([H:51])([H:52])[S:29][S:30]1)([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60]