EVODEX.1-P7111 - Partial Reaction

SMIRKS

[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:51])([H:52])[H:53])[H:54].[H]OP(=O)(O[H])O[P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:65])[O:28][C@:27]([N:26]2:[C:25]([H:57]):[C:24]([H:56]):[C:23]([N:22]([H:70])[H:71]):[N:50]:[C:48]:2=[O:49])([H:58])[C@@:46]([O:47][H:68])([H:69])[C@@:44]1([O:45][H:66])[H:67])([H:63])[H:64])(=[O:33])[O:34][H:59])(=[O:37])[O:38][H:60]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)[N:1]([C:2]([C:3](=[O:4])[O:5][H:51])([H:52])[H:53])[H:54])C([H])([H])S[H].[H]O[P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:65])[O:28][C@:27]([N:26]2:[C:25]([H:57]):[C:24]([H:56]):[C:23]([N:22]([H:70])[H:71]):[N:50]:[C:48]:2=[O:49])([H:58])[C@@:46]([O:47][H:68])([H:69])[C@@:44]1([O:45][H:66])[H:67])([H:63])[H:64])(=[O:33])[O:34][H:59])(=[O:37])[O:38][H:60]

Derived Operators

EVODEX.1-F569 - Elemental Balance

P	-1
O	1
C	8
S	1
N	2
H	11

EVODEX.1-M537 - Mass Difference

152.08553

EVODEX.1-E1392 - Reaction Operator E

[#7:1](-[#6:2])(-[H:56])-[H].([#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:50]-[#6@@:49](-[#6@@:34])(-[H:84])-[#6@:51](-[#6@:32])(-[#8:52])-[H:86])>>[#7:1](-[#6:2])(-[#6](-[#6@@](-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H])(-[#6](-[#16]-[H])(-[H])-[H])-[H])=[#8])-[H:56].([#8]-[H].[#8:52]-[#6@:51](-[#6@:32])(-[H:86])-[#6@@:49](-[#6@@:34])(-[#8:50])-[H:84])

EVODEX.1-C811 - Reaction Operator C

[H]-[#7:1].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:1])-[#6](-[H])(-[H])-[#16]-[H].[H]-[#8]

EVODEX.1-N1022 - Reaction Operator N

[H]-[#7:1](-[#6:2])-[H:56].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:1](-[#6:2])-[H:56])-[#6](-[H])(-[H])-[#16]-[H].[H]-[#8]

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-R7701

[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:51])([H:52])[H:53])[H:54].[N:22]([C:23]1:[C:24]([H:56]):[C:25]([H:57]):[N:26]([C@:27]2([H:58])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:59])[O:35][P:36](=[O:37])([O:38][H:60])[O:39][P:40](=[O:41])([O:42][H:61])[O:43][H:62])([H:63])[H:64])([H:65])[C@:44]([O:45][H:66])([H:67])[C@:46]2([O:47][H:68])[H:69]):[C:48](=[O:49]):[N:50]:1)([H:70])[H:71].[N:6]([C@@:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C@@:13]([C:14]([S:15][H:72])([H:73])[H:74])([C:16](=[O:17])[O:18][H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([C:19](=[O:20])[O:21][H:82])[H:83])([H:84])[H:85]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:51])([H:52])[H:53])([C:16]([C@@:13]([N:12]([C:10]([C:9]([C:8]([C@:7]([N:6]([H:84])[H:85])([C:19](=[O:20])[O:21][H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:11])[H:77])([C:14]([S:15][H:72])([H:73])[H:74])[H:76])=[O:17])[H:54].[O:18]([P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:65])[O:28][C@:27]([N:26]2:[C:25]([H:57]):[C:24]([H:56]):[C:23]([N:22]([H:70])[H:71]):[N:50]:[C:48]:2=[O:49])([H:58])[C@@:46]([O:47][H:68])([H:69])[C@@:44]1([O:45][H:66])[H:67])([H:63])[H:64])(=[O:33])[O:34][H:59])(=[O:37])[O:38][H:60])[H:75].[H][O:39][P:40](=[O:41])([O:42][H:61])[O:43][H:62]