Water → HCID 178495375, compound
Reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH:22]([CH2:45][OH:46])[CH:23]([CH2:25][N:26]([C:27]([c:28]2[cH:29][c:30]([O:35][CH2:36][CH2:37][CH2:38][O:39][CH3:40])[c:31]([CH3:34])[cH:32][cH:33]2)=[O:41])[CH:42]([CH3:43])[CH3:44])[CH2:24]1.[CH2:77]1[O:78][CH2:79][CH2:80][CH2:81]1.[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:47]=[C:48]1[NH:49][C:50](=[O:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]21.[OH2:82].[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH:22]([CH2:45][N:49]2[C:48](=[O:47])[c:57]3[c:52]([cH:53][cH:54][cH:55][cH:56]3)[C:50]2=[O:51])[CH:23]([CH2:25][N:26]([C:27]([c:28]2[cH:29][c:30]([O:35][CH2:36][CH2:37][CH2:38][O:39][CH3:40])[c:31]([CH3:34])[cH:32][cH:33]2)=[O:41])[CH:42]([CH3:43])[CH3:44])[CH2:24]1Participants
7
Sources & evidence
- ORD record
- ord-55cf2ba1366242de9ada04f73afeef85
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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