Water → HCID 57460878, compound
Reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4](-[c:28]2[cH:29][cH:30][c:31]([OH:34])[cH:32][cH:33]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1.[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[O:66]=[C:67]([O:68][CH:69]([CH3:70])[CH3:71])[N:72]=[N:73][C:74]([O:75][CH:76]([CH3:77])[CH3:78])=[O:79].[O:80]1[CH2:81][CH2:82][CH2:83][CH2:84]1.[OH2:85].[OH:35][CH:36]1[CH2:37][CH2:38][CH:39]([C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:40][CH2:41]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[CH2:1]([CH3:2])[c:3]1[n:4](-[c:28]2[cH:29][cH:30][c:31]([O:34][CH:36]3[CH2:37][CH2:38][CH:39]([C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:40][CH2:41]3)[cH:32][cH:33]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1Participants
8
Sources & evidence
- ORD record
- ord-404155e71e9e4546abf14a692aa764b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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