SMIRKS
[N:19]([C:20]1:[N:21]:[C:22]([H:50]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:51]):[N:28]:2[C@:29]1([H:52])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:53])[O:37][P:38](=[O:39])([O:40][H:54])[O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56])([H:57])[H:58])([H:59])[C@:46]([O:47][H:60])([H:61])[C@:48]1([O:49][H:62])[H:63])([H:64])[H:65].[H][N:1]([C@@:2]([C:3]([O:4][H:66])([H:67])[H:68])([C:5](=[O:6])[O:7][H:69])[H:70])[H:71]>>[H]C1:N:C(C([H])([H])[C@@]([H])(C(=O)[N:1]([C@@:2]([C:3]([O:4][H:66])([H:67])[H:68])([C:5](=[O:6])[O:7][H:69])[H:70])[H:71])N([H])[H]):C([H]):N:1[H].[H]O[P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:59])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:50]):[N:21]:[C:20]([N:19]([H:64])[H:65]):[C:25]:3:[N:26]:[C:27]:2[H:51])([H:52])[C@@:48]([O:49][H:62])([H:63])[C@@:46]1([O:47][H:60])[H:61])([H:57])[H:58])(=[O:35])[O:36][H:53])(=[O:39])[O:40][H:54].[H][O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56]
Derived Operators
EVODEX.1-F210 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 3 |
| H | 9 |
EVODEX.1-M71 - Mass Difference
155.06957
EVODEX.1-E915 - Reaction Operator E
[#7:12](-[#6@@:13])(-[H:64])-[H].([#8:42]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]-[#15:47].[#8:52]-[#6@@:51](-[#6@@:36])(-[H:86])-[#6@:53](-[#6@:34])(-[#8:54])-[H:88])>>[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#7:12](-[#6@@:13])-[H:64])-[H])(-[H])-[H].([#8](-[#15:43](-[#8:42])(=[#8:44])-[#8:45])-[H].[#8:54]-[#6@:53](-[#6@:34])(-[H:88])-[#6@@:51](-[#6@@:36])(-[#8:52])-[H:86]).[#8:46](-[#15:47])-[H]
EVODEX.1-C855 - Reaction Operator C
([#15:36]-[#8:39].[#6@:44]-[#6@:46]).[H]-[#7:1]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1])-[#7](-[H])-[H]):[#6](-[H]):[#7]:1-[H].([H]-[#8]-[#15:36].[#6@@:46]-[#6@@:44]).[H]-[#8:39]
EVODEX.1-N1066 - Reaction Operator N
([#8:35]-[#15:36](=[#8:37])(-[#8:38])-[#8:39]-[#15:40].[#8:45]-[#6@@:44](-[#6@@:29])(-[H:59])-[#6@:46](-[#6@:27])(-[#8:47])-[H:61]).[H]-[#7:1](-[#6:2])-[H:67]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1](-[#6:2])-[H:67])-[#7](-[H])-[H]):[#6](-[H]):[#7]:1-[H].([H]-[#8]-[#15:36](-[#8:35])(=[#8:37])-[#8:38].[#8:47]-[#6@:46](-[#6@:27])(-[H:61])-[#6@@:44](-[#6@@:29])(-[#8:45])-[H:59]).[H]-[#8:39]-[#15:40]
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-R7850
[N:19]([C:20]1:[N:21]:[C:22]([H:50]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:51]):[N:28]:2[C@:29]1([H:52])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:53])[O:37][P:38](=[O:39])([O:40][H:54])[O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56])([H:57])[H:58])([H:59])[C@:46]([O:47][H:60])([H:61])[C@:48]1([O:49][H:62])[H:63])([H:64])[H:65].[H][N:1]([C@@:2]([C:3]([O:4][H:66])([H:67])[H:68])([C:5](=[O:6])[O:7][H:69])[H:70])[H:71].[N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:73]):[N:13]([H:74]):[C:14]([H:75]):[N:15]:1)([H:76])[H:77])([C:16](=[O:17])[O:18][H:78])[H:79])([H:80])[H:81]>>[N:1]([C@@:2]([C:3]([O:4][H:66])([H:67])[H:68])([C:5](=[O:6])[O:7][H:69])[H:70])([C:16]([C@@:9]([N:8]([H:80])[H:81])([C:10]([C:11]1:[C:12]([H:73]):[N:13]([H:74]):[C:14]([H:75]):[N:15]:1)([H:76])[H:77])[H:79])=[O:17])[H:71].[O:18]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:59])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:50]):[N:21]:[C:20]([N:19]([H:64])[H:65]):[C:25]:3:[N:26]:[C:27]:2[H:51])([H:52])[C@@:48]([O:49][H:62])([H:63])[C@@:46]1([O:47][H:60])[H:61])([H:57])[H:58])(=[O:35])[O:36][H:53])(=[O:39])[O:40][H:54])[H:78].[H][O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56]