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].[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]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E845 - Reaction Operator E
([#8:59]-[#15:60](=[#8:61])(-[#8:62])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:69]-[#6@@:68](-[#6@@:53])(-[H:83])-[#6@:70](-[#6@:51])(-[#8:71])-[H:85]).([#6:19]-[#6@:20](-[#7:21])(-[#6:38])-[H:103].[#6:31]-[#6:32](=[#8:33])-[#8:34]-[H:92]).[#7:9](-[#6@:8])(-[H:114])-[H]>>([#7:9](-[#6@:8])(-[#6:32](-[#6:31])=[#8:33])-[H:114].[#7:21]-[#6@@:20](-[#6:19])(-[#6:38])-[H:103]).([#8:34](-[#15:60](-[#8:59])(=[#8:61])-[#8:62])-[H:92].[#8:71]-[#6@:70](-[#6@:51])(-[H:85])-[#6@@:68](-[#6@@:53])(-[#8:69])-[H:83])
EVODEX.1-C174 - Reaction Operator C
[H]-[#7:1].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:39].([#6:14]-[#8:16].[#6@@:7])>>([#7:1]-[#6:14].[#6@:7]).[#8:16]-[#15:39]
EVODEX.1-N1168 - Reaction Operator N
[H]-[#7:1](-[#6:2])-[H:54].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:39](-[#8:38])(=[#8:40])-[#8:41].([#7:6]-[#6@@:7](-[#6:8])(-[#6:17])-[H:81].[#6:13]-[#6:14](=[#8:15])-[#8:16]-[H:72])>>([#7:1](-[#6:2])(-[#6:14](-[#6:13])=[#8:15])-[H:54].[#6:8]-[#6@:7](-[#7:6])(-[#6:17])-[H:81]).[#8:16](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:72]
EVODEX.1-Em34 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:47]-[#6:46].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
EVODEX.1-Cm50 - Reaction Operator Cm
[#6:42]-[#8:44].[H]-[#7:47].[#8]-[#15:72]>>[#6:42]-[#7:47].[#8:44]-[#15:72]
EVODEX.1-Nm35 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:47]-[#6:46].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
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]