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:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:65])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:56]):[N:22]:[C:21]([N:20]([H:70])[H:71]):[C:26]:3:[N:27]:[C:28]:2[H:57])([H:58])[C@@:49]([O:50][H:68])([H:69])[C@@:47]1([O:48][H:66])[H:67])([H:63])[H:64])(=[O:36])[O:37][H:59])(=[O:40])[O:41][H:60].[N:6]([C@@:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C:13]([C:14](=[O:15])[O:16][H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([C:17](=[O:18])[O:19][H:80])[H:81])([H:82])[H:83]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:51])([H:52])[H:53])([C:14]([C:13]([N:12]([C:10]([C:9]([C:8]([C@:7]([N:6]([H:82])[H:83])([C:17](=[O:18])[O:19][H:80])[H:81])([H:78])[H:79])([H:76])[H:77])=[O:11])[H:75])([H:73])[H:74])=[O:15])[H:54].[O:16]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:65])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:56]):[N:22]:[C:21]([N:20]([H:70])[H:71]):[C:26]:3:[N:27]:[C:28]:2[H:57])([H:58])[C@@:49]([O:50][H:68])([H:69])[C@@:47]1([O:48][H:66])[H:67])([H:63])[H:64])(=[O:36])[O:37][H:59])(=[O:40])[O:41][H:60])[H:72]
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-R7708
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:51])([H:52])[H:53])[H:54].[N:20]([C:21]1:[N:22]:[C:23]([H:56]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:57]):[N:29]:2[C@:30]1([H:58])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:59])[O:38][P:39](=[O:40])([O:41][H:60])[O:42][P:43](=[O:44])([O:45][H:61])[O:46][H:62])([H:63])[H:64])([H:65])[C@:47]([O:48][H:66])([H:67])[C@:49]1([O:50][H:68])[H:69])([H:70])[H:71].[N:6]([C@@:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C:13]([C:14](=[O:15])[O:16][H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([C:17](=[O:18])[O:19][H:80])[H:81])([H:82])[H:83]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:51])([H:52])[H:53])([C:14]([C:13]([N:12]([C:10]([C:9]([C:8]([C@:7]([N:6]([H:82])[H:83])([C:17](=[O:18])[O:19][H:80])[H:81])([H:78])[H:79])([H:76])[H:77])=[O:11])[H:75])([H:73])[H:74])=[O:15])[H:54].[O:16]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:65])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:56]):[N:22]:[C:21]([N:20]([H:70])[H:71]):[C:26]:3:[N:27]:[C:28]:2[H:57])([H:58])[C@@:49]([O:50][H:68])([H:69])[C@@:47]1([O:48][H:66])[H:67])([H:63])[H:64])(=[O:36])[O:37][H:59])(=[O:40])[O:41][H:60])[H:72].[H][O:42][P:43](=[O:44])([O:45][H:61])[O:46][H:62]