SMIRKS
[N:19]([C:20]1:[N:21]:[C:22]([H:57]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:58]):[N:28]:2[C@:29]1([H:59])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:60])[O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63])([H:64])[H:65])([H:66])[C@:46]([O:47][H:67])([H:68])[C@:48]1([O:49][H:69])[H:70])([H:71])[H:72].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:86])[N:3]([H:73])[H:74])[H:85])([H:83])[H:84])([H:81])[H:82])([H:79])[H:80])([C:10](=[O:11])[O:12][H:77])[H:78])[H:75]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:86])[N:3]([H:73])[H:74])[H:85])([H:83])[H:84])([H:81])[H:82])([H:79])[H:80])([C:10](=[O:11])[O:12][H:77])[H:78])[H:75].[H]O[P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:66])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:57]):[N:21]:[C:20]([N:19]([H:71])[H:72]):[C:25]:3:[N:26]:[C:27]:2[H:58])([H:59])[C@@:48]([O:49][H:69])([H:70])[C@@:46]1([O:47][H:67])[H:68])([H:64])[H:65])(=[O:35])[O:36][H:60])(=[O:39])[O:40][H:61].[H][O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63]
Derived Operators
EVODEX.1-F147 - Elemental Balance
| O | 2 |
| C | 3 |
| N | 1 |
| H | 7 |
EVODEX.1-M46 - Mass Difference
89.04771000000001
EVODEX.1-E806 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:49])-[H].([#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]-[#15:38].[#8:43]-[#6@@:42](-[#6@@:27])(-[H:68])-[#6@:44](-[#6@:25])(-[#8:45])-[H:70])>>[#7:5](-[#6@:4])(-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:49].([#8](-[#15:34](-[#8:33])(=[#8:35])-[#8:36])-[H].[#8:45]-[#6@:44](-[#6@:25])(-[H:70])-[#6@@:42](-[#6@@:27])(-[#8:43])-[H:68]).[#8:37](-[#15:38])-[H]
EVODEX.1-C934 - Reaction Operator C
[H]-[#7:6].([#15:35]-[#8:38].[#6@:43]-[#6@:45])>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6].([H]-[#8]-[#15:35].[#6@@:45]-[#6@@:43]).[H]-[#8:38]
EVODEX.1-N1170 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:50].([#8:34]-[#15:35](=[#8:36])(-[#8:37])-[#8:38]-[#15:39].[#8:44]-[#6@@:43](-[#6@@:28])(-[H:78])-[#6@:45](-[#6@:26])(-[#8:46])-[H:80])>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:50].([H]-[#8]-[#15:35](-[#8:34])(=[#8:36])-[#8:37].[#8:46]-[#6@:45](-[#6@:26])(-[H:80])-[#6@@:43](-[#6@@:28])(-[#8:44])-[H:78]).[H]-[#8:38]-[#15:39]
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-R7751
[N:13]([C:14]([C:15]([C:16](=[O:17])[O:18][H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[N:19]([C:20]1:[N:21]:[C:22]([H:57]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:58]):[N:28]:2[C@:29]1([H:59])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:60])[O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63])([H:64])[H:65])([H:66])[C@:46]([O:47][H:67])([H:68])[C@:48]1([O:49][H:69])[H:70])([H:71])[H:72].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:86])[N:3]([H:73])[H:74])[H:85])([H:83])[H:84])([H:81])[H:82])([H:79])[H:80])([C:10](=[O:11])[O:12][H:77])[H:78])[H:75]>>[N:1](=[C:2]([N:3]([H:73])[H:74])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:16]([C:15]([C:14]([N:13]([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])=[O:17])[H:75])([C:10](=[O:11])[O:12][H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])[H:86].[O:18]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:66])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:57]):[N:21]:[C:20]([N:19]([H:71])[H:72]):[C:25]:3:[N:26]:[C:27]:2[H:58])([H:59])[C@@:48]([O:49][H:69])([H:70])[C@@:46]1([O:47][H:67])[H:68])([H:64])[H:65])(=[O:35])[O:36][H:60])(=[O:39])[O:40][H:61])[H:50].[H][O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63]