EVODEX.1-P7105 - Partial Reaction

SMIRKS

[H][N:1]([C:2]([C:3]([O:4][H:52])([H:53])[H:54])([H:55])[H:56])[H:57].[H]OP(=O)(O[H])O[P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:68])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:59]):[N:23]:[C:22]([N:21]([H:73])[H:74]):[C:27]:3:[N:28]:[C:29]:2[H:60])([H:61])[C@@:50]([O:51][H:71])([H:72])[C@@:48]1([O:49][H:69])[H:70])([H:66])[H:67])(=[O:37])[O:38][H:62])(=[O:41])[O:42][H:63]>>[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][H:52])([H:53])[H:54])([H:55])[H:56])[H:57])C([H])([H])S[H].[H]O[P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:68])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:59]):[N:23]:[C:22]([N:21]([H:73])[H:74]):[C:27]:3:[N:28]:[C:29]:2[H:60])([H:61])[C@@:50]([O:51][H:71])([H:72])[C@@:48]1([O:49][H:69])[H:70])([H:66])[H:67])(=[O:37])[O:38][H:62])(=[O:41])[O:42][H:63]

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-R7697

[H][N:1]([C:2]([C:3]([O:4][H:52])([H:53])[H:54])([H:55])[H:56])[H:57].[N:21]([C:22]1:[N:23]:[C:24]([H:59]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:60]):[N:30]:2[C@:31]1([H:61])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:62])[O:39][P:40](=[O:41])([O:42][H:63])[O:43][P:44](=[O:45])([O:46][H:64])[O:47][H:65])([H:66])[H:67])([H:68])[C@:48]([O:49][H:69])([H:70])[C@:50]1([O:51][H:71])[H:72])([H:73])[H:74].[N:5]([C@@:6]([C:7]([C:8]([C:9](=[O:10])[N:11]([C@@:12]([C:13]([S:14][H:75])([H:76])[H:77])([C:15](=[O:16])[O:17][H:78])[H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([C:18](=[O:19])[O:20][H:85])[H:86])([H:87])[H:88]>>[N:1]([C:2]([C:3]([O:4][H:52])([H:53])[H:54])([H:55])[H:56])([C:15]([C@@:12]([N:11]([C:9]([C:8]([C:7]([C@:6]([N:5]([H:87])[H:88])([C:18](=[O:19])[O:20][H:85])[H:86])([H:83])[H:84])([H:81])[H:82])=[O:10])[H:80])([C:13]([S:14][H:75])([H:76])[H:77])[H:79])=[O:16])[H:57].[O:17]([P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:68])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:59]):[N:23]:[C:22]([N:21]([H:73])[H:74]):[C:27]:3:[N:28]:[C:29]:2[H:60])([H:61])[C@@:50]([O:51][H:71])([H:72])[C@@:48]1([O:49][H:69])[H:70])([H:66])[H:67])(=[O:37])[O:38][H:62])(=[O:41])[O:42][H:63])[H:78].[H][O:43][P:44](=[O:45])([O:46][H:64])[O:47][H:65]