SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:47][P:48](=[O:49])([O:50][H:72])[O:51][H:73].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:96])[N:3]([H:83])[H:84])[H:95])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([C:10](=[O:11])[O:12][H:87])[H:88])[H:85]>>[H]C1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:96])[N:3]([H:83])[H:84])[H:95])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([C:10](=[O:11])[O:12][H:87])[H:88])[H:85])N([H])[H]):C([H]):C:1[H].[H][O:47][P:48](=[O:49])([O:50][H:72])[O:51][H:73]
Derived Operators
EVODEX.1-F572 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -1 |
| N | -4 |
| H | -4 |
EVODEX.1-M540 - Mass Difference
-261.95052
EVODEX.1-E1395 - Reaction Operator E
[#7:1](-[#6@@:2])(-[H:56])-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:42]-[#15:43])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7:1](-[#6@@:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])=[#8])-[H:56].[#8:42](-[#15:43])-[H]
EVODEX.1-C845 - Reaction Operator C
[H]-[#7:5].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:43]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:43]
EVODEX.1-N1056 - Reaction Operator N
[H]-[#7:5](-[#6@@:4])-[H:55].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:43]-[#15:44]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:55])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:43]-[#15:44]
EVODEX.1-Em27 - Reaction Operator Em
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
EVODEX.1-Nm27 - Reaction Operator Nm
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
Source Full Reactions
EVODEX.1-R7775
[N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]([H:59]):[C:21]:1[H:60])([H:61])[H:62])([C:22](=[O:23])[O:24][H:63])[H:64])([H:65])[H:66].[N:25]([C:26]1:[N:27]:[C:28]([H:67]):[N:29]:[C:30]2:[C:31]:1:[N:32]:[C:33]([H:68]):[N:34]:2[C@:35]1([H:69])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:70])[O:43][P:44](=[O:45])([O:46][H:71])[O:47][P:48](=[O:49])([O:50][H:72])[O:51][H:73])([H:74])[H:75])([H:76])[C@:52]([O:53][H:77])([H:78])[C@:54]1([O:55][H:79])[H:80])([H:81])[H:82].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:96])[N:3]([H:83])[H:84])[H:95])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([C:10](=[O:11])[O:12][H:87])[H:88])[H:85]>>[N:1](=[C:2]([N:3]([H:83])[H:84])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:22]([C@@:14]([N:13]([H:65])[H:66])([C:15]([C:16]1:[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]([H:59]):[C:21]:1[H:60])([H:61])[H:62])[H:64])=[O:23])[H:85])([C:10](=[O:11])[O:12][H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])[H:95])[H:96].[O:24]([P:44]([O:43][P:40]([O:39][C:38]([C@@:37]1([H:76])[O:36][C@:35]([N:34]2:[C:30]3:[N:29]:[C:28]([H:67]):[N:27]:[C:26]([N:25]([H:81])[H:82]):[C:31]:3:[N:32]:[C:33]:2[H:68])([H:69])[C@@:54]([O:55][H:79])([H:80])[C@@:52]1([O:53][H:77])[H:78])([H:74])[H:75])(=[O:41])[O:42][H:70])(=[O:45])[O:46][H:71])[H:63].[H][O:47][P:48](=[O:49])([O:50][H:72])[O:51][H:73]