SMIRKS
[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:49](=[O:50])[C:51](=[C:52]([C:53]2:[C:54]([H:90]):[C:55]([H:91]):[C:56]([O:57][H:92]):[C:58]([H:93]):[C:59]:2[H:94])[H:95])[H:96])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:65][C@@:64]([C:63]([C:61](=[O:60])[O:62][H:111])([H:115])[H:116])([C:66](=[O:67])[O:68][H:113])[H:114]>>[C:49](=[O:50])([C:51](=[C:52]([C:53]1:[C:54]([H:90]):[C:55]([H:91]):[C:56]([O:57][H:92]):[C:58]([H:93]):[C:59]:1[H:94])[H:95])[H:96])[O:65][C@@:64]([C:63]([C:61](=[O:60])[O:62][H:111])([H:115])[H:116])([C:66](=[O:67])[O:68][H:113])[H:114]
Derived Operators
EVODEX.1-F49 - Elemental Balance
| P | -3 |
| O | -16 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -36 |
EVODEX.1-M7 - Mass Difference
-767.1154799999999
EVODEX.1-C5 - Reaction Operator C
[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]-[#6:49])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:61]>>[#6:49]-[#8:61]
EVODEX.1-N3 - Reaction Operator N
[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]-[#6:12](-[#6:11])=[#8:13])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]
EVODEX.1-Em92 - Reaction Operator Em
[#6]-[#16]-[#6:20](-[#6:19]=[#6:18])=[#8:21].[H]-[#8:84]-[#6:83]>>[#6:18]=[#6:19]-[#6:20](=[#8:21])-[#8:84]-[#6:83]
EVODEX.1-Nm40 - Reaction Operator Nm
[#6]-[#16]-[#6:12](-[#6:11])=[#8:13].[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]
Source Full Reactions
EVODEX.1-R2001
[C:1]([C:2]([C:3]([H:69])([H:70])[H:71])([C:4]([O:5][P:6](=[O:7])([O:8][H:72])[O:9][P:10](=[O:11])([O:12][H:73])[O:13][C:14]([C@@:15]1([H:74])[O:16][C@:17]([N:18]2:[C:19]([H:75]):[N:20]:[C:21]3:[C:22]([N:23]([H:76])[H:77]):[N:24]:[C:25]([H:78]):[N:26]:[C:27]:2:3)([H:79])[C@@:28]([O:29][H:80])([H:81])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:82])[O:35][H:83])[H:84])([H:85])[H:86])([H:87])[H:88])[C@@:36]([O:37][H:89])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51](=[C:52]([C:53]1:[C:54]([H:90]):[C:55]([H:91]):[C:56]([O:57][H:92]):[C:58]([H:93]):[C:59]:1[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:107])([H:108])([H:109])[H:110].[H][O:65][C@@:64]([C:63]([C:61](=[O:60])[O:62][H:111])([H:115])[H:116])([C:66](=[O:67])[O:68][H:113])[H:114]>>[C:49](=[O:50])([C:51](=[C:52]([C:53]1:[C:54]([H:90]):[C:55]([H:91]):[C:56]([O:57][H:92]):[C:58]([H:93]):[C:59]:1[H:94])[H:95])[H:96])[O:65][C@@:64]([C:63]([C:61](=[O:60])[O:62][H:111])([H:115])[H:116])([C:66](=[O:67])[O:68][H:113])[H:114].[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:108])([H:109])[H:110])([C:3]([H:69])([H:70])[H:71])[C:4]([O:5][P:6](=[O:7])([O:8][H:72])[O:9][P:10](=[O:11])([O:12][H:73])[O:13][C:14]([C@@:15]1([H:74])[O:16][C@:17]([N:18]2:[C:19]([H:75]):[N:20]:[C:21]3:[C:22]([N:23]([H:76])[H:77]):[N:24]:[C:25]([H:78]):[N:26]:[C:27]:2:3)([H:79])[C@@:28]([O:29][H:80])([H:81])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:82])[O:35][H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([O:37][H:89])[H:107])=[O:39])[H:106])([H:104])[H:105])([H:102])[H:103])=[O:44])[H:101])([H:99])[H:100])([H:97])[H:98]