SMIRKS
[N:11]([C:12]1:[N:13]:[C:14]([H:50]):[N:15]:[C:16]2:[C:17]:1:[N:18]:[C:19]([H:51]):[N:20]:2[C@:21]1([H:52])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:53])[O:29][P:30](=[O:31])([O:32][H:54])[O:33][P:34](=[O:35])([O:36][H:55])[O:37][H:56])([H:57])[H:58])([H:59])[C@:38]([O:39][H:60])([H:61])[C@:40]1([O:41][H:62])[H:63])([H:64])[H:65].[H][N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:66])([H:67])[H:68])([H:69])[H:70])([C:8](=[O:9])[O:10][H:71])[H:72])[H:73]>>[H]O[P:30]([O:29][P:26]([O:25][C:24]([C@@:23]1([H:59])[O:22][C@:21]([N:20]2:[C:16]3:[N:15]:[C:14]([H:50]):[N:13]:[C:12]([N:11]([H:64])[H:65]):[C:17]:3:[N:18]:[C:19]:2[H:51])([H:52])[C@@:40]([O:41][H:62])([H:63])[C@@:38]1([O:39][H:60])[H:61])([H:57])[H:58])(=[O:27])[O:28][H:53])(=[O:31])[O:32][H:54].[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:66])([H:67])[H:68])([H:69])[H:70])([C:8](=[O:9])[O:10][H:71])[H:72])[H:73].[H][O:33][P:34](=[O:35])([O:36][H:55])[O:37][H:56]
Derived Operators
EVODEX.1-F153 - Elemental Balance
| O | 2 |
| C | 5 |
| N | 1 |
| H | 9 |
EVODEX.1-M253 - Mass Difference
115.06337
EVODEX.1-E816 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:51])-[H].[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8:31]-[#15:32]>>[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H:51].[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8]-[H].[#8:31](-[#15:32])-[H]
EVODEX.1-C950 - Reaction Operator C
[H]-[#7:5].([#15:28]-[#8:31].[#6@:36]-[#6@:38])>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:5].([H]-[#8]-[#15:28].[#6@@:38]-[#6@@:36]).[H]-[#8:31]
EVODEX.1-N1187 - Reaction Operator N
[H]-[#7:5](-[#6@@:4])-[H:51].([#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8:31]-[#15:32].[#8:37]-[#6@@:36](-[#6@@:21])(-[H:70])-[#6@:38](-[#6@:19])(-[#8:39])-[H:72])>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:51].([H]-[#8]-[#15:28](-[#8:27])(=[#8:29])-[#8:30].[#8:39]-[#6@:38](-[#6@:19])(-[H:72])-[#6@@:36](-[#6@@:21])(-[#8:37])-[H:70]).[H]-[#8:31]-[#15:32]
EVODEX.1-Em22 - Reaction Operator Em
[H]-[#7:47]-[#6:46].[#8:73]-[#15:74](=[#8:75])(-[#8:76])-[#8:77]-[#15:78]>>[#6]-[#6](=[#8])-[#7:47]-[#6:46].[H]-[#8]-[#15:74](-[#8:73])(=[#8:75])-[#8:76].[H]-[#8:77]-[#15:78]
EVODEX.1-Cm36 - Reaction Operator Cm
[H]-[#7:47].[#15:74]-[#8:77]>>[#6]-[#7:47].[#8]-[#15:74].[H]-[#8:77]
EVODEX.1-Nm22 - Reaction Operator Nm
[H]-[#7:47]-[#6:46].[#8:73]-[#15:74](=[#8:75])(-[#8:76])-[#8:77]-[#15:78]>>[#6]-[#6](=[#8])-[#7:47]-[#6:46].[H]-[#8]-[#15:74](-[#8:73])(=[#8:75])-[#8:76].[H]-[#8:77]-[#15:78]
Source Full Reactions
EVODEX.1-R7792
[N:11]([C:12]1:[N:13]:[C:14]([H:50]):[N:15]:[C:16]2:[C:17]:1:[N:18]:[C:19]([H:51]):[N:20]:2[C@:21]1([H:52])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:53])[O:29][P:30](=[O:31])([O:32][H:54])[O:33][P:34](=[O:35])([O:36][H:55])[O:37][H:56])([H:57])[H:58])([H:59])[C@:38]([O:39][H:60])([H:61])[C@:40]1([O:41][H:62])[H:63])([H:64])[H:65].[H][N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:66])([H:67])[H:68])([H:69])[H:70])([C:8](=[O:9])[O:10][H:71])[H:72])[H:73].[O:42]=[C:43]([O:44][H:75])[C@:45]1([H:76])[C:46]([H:77])([H:78])[C:47]([H:79])([H:80])[C:48]([H:81])([H:82])[N:49]1[H:83]>>[N:11]([C:12]1:[N:13]:[C:14]([H:50]):[N:15]:[C:16]2:[C:17]:1:[N:18]:[C:19]([H:51]):[N:20]:2[C@:21]1([H:52])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:53])[O:29][P:30](=[O:31])([O:32][H:54])[O:44][H:75])([H:57])[H:58])([H:59])[C@:38]([O:39][H:60])([H:61])[C@:40]1([O:41][H:62])[H:63])([H:64])[H:65].[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:66])([H:67])[H:68])([H:69])[H:70])([C:8](=[O:9])[O:10][H:71])[H:72])([C:43](=[O:42])[C@:45]1([H:76])[C:46]([H:77])([H:78])[C:47]([H:79])([H:80])[C:48]([H:81])([H:82])[N:49]1[H:83])[H:73].[H][O:33][P:34](=[O:35])([O:36][H:55])[O:37][H:56]