SMIRKS
[O:49]=[C:50]([C:51](=[C:52]([C:53]1:[C:54]([H:107]):[C:55]([H:108]):[C:56]([O:57][H:109]):[C:58]([H:110]):[C:59]:1[H:111])[H:112])[H:113])[O:60][C:61]1:[C:62]([H:114]):[C:63]([C:64](=[O:65])[O:66][H:115]):[C:67]([H:116]):[C:68]([H:117]):[C:69]:1[O:70][H:118]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:50](=[O:49])[C:51](=[C:52]([C:53]2:[C:54]([H:107]):[C:55]([H:108]):[C:56]([O:57][H:109]):[C:58]([H:110]):[C:59]:2[H:111])[H:112])[H:113])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:60][C:61]1:[C:62]([H:114]):[C:63]([C:64](=[O:65])[O:66][H:115]):[C:67]([H:116]):[C:68]([H:117]):[C:69]:1[O:70][H:118]
Derived Operators
EVODEX.1-F117 - Elemental Balance
| P | 3 |
| O | 16 |
| C | 21 |
| S | 1 |
| N | 7 |
| H | 36 |
EVODEX.1-M20 - Mass Difference
767.1154799999999
EVODEX.1-C111 - Reaction Operator C
[#6:2]-[#8:4]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:2])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:4]
EVODEX.1-N48 - Reaction Operator N
[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:2](-[#6:1])=[#8:3])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:4]-[#6:5]
EVODEX.1-Em425 - Reaction Operator Em
[#6:54]=[#6:55]-[#6:56](=[#8:57])-[#8:58]-[#6:59]>>[#6]-[#16]-[#6:56](-[#6:55]=[#6:54])=[#8:57].[H]-[#8:58]-[#6:59]
EVODEX.1-Nm126 - Reaction Operator Nm
[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[#6]-[#16]-[#6:2](-[#6:1])=[#8:3].[H]-[#8:4]-[#6:5]
Source Full Reactions
EVODEX.1-R2011
[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:104])([H:105])[H:106])([C:3]([H:71])([H:72])[H:73])[C:4]([O:5][P:6](=[O:7])([O:8][H:74])[O:9][P:10](=[O:11])([O:12][H:75])[O:13][C:14]([C@@:15]1([H:76])[O:16][C@:17]([N:18]2:[C:19]([H:77]):[N:20]:[C:21]3:[C:22]([N:23]([H:78])[H:79]):[N:24]:[C:25]([H:80]):[N:26]:[C:27]:2:3)([H:81])[C@@:28]([O:29][H:82])([H:83])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:84])[O:35][H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([O:37][H:91])[H:103])=[O:39])[H:102])([H:100])[H:101])([H:98])[H:99])=[O:44])[H:97])([H:95])[H:96])([H:93])[H:94].[O:49]=[C:50]([C:51](=[C:52]([C:53]1:[C:54]([H:107]):[C:55]([H:108]):[C:56]([O:57][H:109]):[C:58]([H:110]):[C:59]:1[H:111])[H:112])[H:113])[O:60][C:61]1:[C:62]([H:114]):[C:63]([C:64](=[O:65])[O:66][H:115]):[C:67]([H:116]):[C:68]([H:117]):[C:69]:1[O:70][H:118]>>[C:1]([C:2]([C:3]([H:71])([H:72])[H:73])([C:4]([O:5][P:6](=[O:7])([O:8][H:74])[O:9][P:10](=[O:11])([O:12][H:75])[O:13][C:14]([C@@:15]1([H:76])[O:16][C@:17]([N:18]2:[C:19]([H:77]):[N:20]:[C:21]3:[C:22]([N:23]([H:78])[H:79]):[N:24]:[C:25]([H:80]):[N:26]:[C:27]:2:3)([H:81])[C@@:28]([O:29][H:82])([H:83])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:84])[O:35][H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[C@@:36]([O:37][H:91])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:50](=[O:49])[C:51](=[C:52]([C:53]1:[C:54]([H:107]):[C:55]([H:108]):[C:56]([O:57][H:109]):[C:58]([H:110]):[C:59]:1[H:111])[H:112])[H:113])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])[H:102])[H:103])([H:104])([H:105])[H:106].[H][O:60][C:61]1:[C:62]([H:114]):[C:63]([C:64](=[O:65])[O:66][H:115]):[C:67]([H:116]):[C:68]([H:117]):[C:69]:1[O:70][H:118]