SMIRKS
[H][N:5]([C@@:4]([C@@:2]([C:1]([H:54])([H:55])[H:56])([O:3][H:48])[H:53])([C:6](=[O:7])[O:8][H:51])[H:52])[H:49].[O:40]=[C:41]([O:42][H:73])[C@:43]1([H:74])[C:44]([H:75])([H:76])[C:45]([H:77])([H:78])[C:46]([H:79])([H:80])[N:47]1[H:81]>>[C:1]([C@@:2]([O:3][H:48])([C@:4]([N:5]([C:41](=[O:40])[C@:43]1([H:74])[C:44]([H:75])([H:76])[C:45]([H:77])([H:78])[C:46]([H:79])([H:80])[N:47]1[H:81])[H:49])([C:6](=[O:7])[O:8][H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H]OP(=O)(O[H])[O:42][H:73]
Derived Operators
EVODEX.1-F273 - Elemental Balance
| P | 1 |
| O | 3 |
| H | 1 |
EVODEX.1-M13 - Mass Difference
79.96633
EVODEX.1-E1028 - Reaction Operator E
[#6:46](-[#6@@:44])(=[#8:47])-[#8:48]-[H:119].[#7:49](-[#6@@:50])(-[H:135])-[H]>>[#6:46](-[#6@@:44])(=[#8:47])-[#7:49](-[#6@@:50])-[H:135].[#8:48](-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H:119]
EVODEX.1-C1479 - Reaction Operator C
[H]-[#7:5]-[#6@@:4].[#6:41]-[#8:42]>>[#7:5](-[#6@:4])-[#6:41].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:42]
EVODEX.1-N1896 - Reaction Operator N
[H]-[#7:5](-[#6@@:4](-[#6@@:2])(-[#6:6])-[H:52])-[H:49].[#8:40]=[#6:41](-[#8:42]-[H:73])-[#6@:43]>>[#7:5](-[#6@@:4](-[#6@@:2])(-[#6:6])-[H:52])(-[#6:41](=[#8:40])-[#6@:43])-[H:49].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:42]-[H:73]
EVODEX.1-Em41 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
EVODEX.1-Nm46 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
Source Full Reactions
EVODEX.1-R7798
[H][N:5]([C@@:4]([C@@:2]([C:1]([H:54])([H:55])[H:56])([O:3][H:48])[H:53])([C:6](=[O:7])[O:8][H:51])[H:52])[H:49].[N:9]([C:10]1:[N:11]:[C:12]([H:57]):[N:13]:[C:14]2:[C:15]:1:[N:16]:[C:17]([H:58]):[N:18]:2[C@:19]1([H:59])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:60])[O:27][P:28](=[O:29])([O:30][H:61])[O:31][P:32](=[O:33])([O:34][H:62])[O:35][H:63])([H:64])[H:65])([H:66])[C@:36]([O:37][H:67])([H:68])[C@:38]1([O:39][H:69])[H:70])([H:71])[H:72].[O:40]=[C:41]([O:42][H:73])[C@:43]1([H:74])[C:44]([H:75])([H:76])[C:45]([H:77])([H:78])[C:46]([H:79])([H:80])[N:47]1[H:81]>>[C:1]([C@@:2]([O:3][H:48])([C@:4]([N:5]([C:41](=[O:40])[C@:43]1([H:74])[C:44]([H:75])([H:76])[C:45]([H:77])([H:78])[C:46]([H:79])([H:80])[N:47]1[H:81])[H:49])([C:6](=[O:7])[O:8][H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][O:31][P:28]([O:27][P:24]([O:23][C:22]([C@@:21]1([H:66])[O:20][C@:19]([N:18]2:[C:14]3:[N:13]:[C:12]([H:57]):[N:11]:[C:10]([N:9]([H:71])[H:72]):[C:15]:3:[N:16]:[C:17]:2[H:58])([H:59])[C@@:38]([O:39][H:69])([H:70])[C@@:36]1([O:37][H:67])[H:68])([H:64])[H:65])(=[O:25])[O:26][H:60])(=[O:29])[O:30][H:61].[P:32](=[O:33])([O:34][H:62])([O:35][H:63])[O:42][H:73]