SMIRKS
[C:1]([C:2]([C:3]([N:4]([H:50])[H:51])([C:5]([C:6]([C:7]([C:8]([C:9](=[O:10])[O:11][H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[H]OP(=O)(O[H])O[P:38]([O:37][C:36]([C@:35]1([H:84])[O:34][C@@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:76]):[N:25]:[C:24]([N:23]([H:89])[H:90]):[C:29]:3:[N:30]:[C:31]:2[H:77])([H:78])[C@:48]([O:49][H:87])([H:88])[C@:46]1([O:47][H:85])[H:86])([H:82])[H:83])(=[O:39])[O:40][H:79]>>[H]OC(=O)[C@@]([H])(N([H])[C:9]([C:8]([C:7]([C:6]([C:5]([C:3]([C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])([N:4]([H:50])[H:51])[H:61])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])=[O:10])C([H])([H])C1:C([H]):N:C([H]):N:1[H].[O:11]([P:38]([O:37][C:36]([C@:35]1([H:84])[O:34][C@@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:76]):[N:25]:[C:24]([N:23]([H:89])[H:90]):[C:29]:3:[N:30]:[C:31]:2[H:77])([H:78])[C@:48]([O:49][H:87])([H:88])[C@:46]1([O:47][H:85])[H:86])([H:82])[H:83])(=[O:39])[O:40][H:79])[H:52]
Derived Operators
EVODEX.1-F556 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 6 |
| N | 3 |
| H | 6 |
EVODEX.1-M173 - Mass Difference
57.092679999999994
EVODEX.1-E1379 - Reaction Operator E
[#6:8](-[#6@:6])(=[#8:9])-[#8:10]-[H:64].([#8:40]-[#15:41](=[#8:42])(-[#8:43])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:50]-[#6@@:49](-[#6@@:34])(-[H:87])-[#6@:51](-[#6@:32])(-[#8:52])-[H:89])>>[#6:8](-[#6@:6])(=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:10](-[#15:41](-[#8:40])(=[#8:42])-[#8:43])-[H:64].[#8:52]-[#6@:51](-[#6@:32])(-[H:89])-[#6@@:49](-[#6@@:34])(-[#8:50])-[H:87])
EVODEX.1-C797 - Reaction Operator C
[#6:21]-[#8:23].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:43]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:21])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].[#8:23]-[#15:43]
EVODEX.1-N1008 - Reaction Operator N
[#6:21](-[#6@@:13])(=[#8:22])-[#8:23]-[H:62].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:43](-[#8:42])(=[#8:44])-[#8:45]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:21](-[#6@@:13])=[#8:22])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].[#8:23](-[#15:43](-[#8:42])(=[#8:44])-[#8:45])-[H:62]
EVODEX.1-Em25 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
EVODEX.1-Nm25 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
Source Full Reactions
EVODEX.1-R7569
[C:1]([C:2]([C:3]([N:4]([H:50])[H:51])([C:5]([C:6]([C:7]([C:8]([C:9](=[O:10])[O:11][H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[H][N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:67]):[N:17]:[C:18]([H:68]):[N:19]:1[H:69])([H:70])[H:71])([C:20](=[O:21])[O:22][H:72])[H:73])[H:74].[N:23]([C:24]1:[N:25]:[C:26]([H:76]):[N:27]:[C:28]2:[C:29]:1:[N:30]:[C:31]([H:77]):[N:32]:2[C@@:33]1([H:78])[O:34][C@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:79])[O:41][P:42](=[O:43])([O:44][H:80])[O:45][H:81])([H:82])[H:83])([H:84])[C@@:46]([O:47][H:85])([H:86])[C@@:48]1([O:49][H:87])[H:88])([H:89])[H:90]>>[C:1]([C:2]([C:3]([N:4]([H:50])[H:51])([C:5]([C:6]([C:7]([C:8]([C:9](=[O:10])[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:67]):[N:17]:[C:18]([H:68]):[N:19]:1[H:69])([H:70])[H:71])([C:20](=[O:21])[O:22][H:72])[H:73])[H:74])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[O:11]([P:38]([O:37][C:36]([C@:35]1([H:84])[O:34][C@@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:76]):[N:25]:[C:24]([N:23]([H:89])[H:90]):[C:29]:3:[N:30]:[C:31]:2[H:77])([H:78])[C@:48]([O:49][H:87])([H:88])[C@:46]1([O:47][H:85])[H:86])([H:82])[H:83])(=[O:39])[O:40][H:79])[H:52].[H][O:41][P:42](=[O:43])([O:44][H:80])[O:45][H:81]