Water → HCID 21942834, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[S:6][C:7]([CH3:12])([CH3:13])[CH:8]1[C:9](=[O:10])[OH:11].[C:20]([CH3:21])(=[O:22])[N:23]1[CH:24]([c:33]2[c:34]([OH:41])[cH:35][cH:36][c:37]([O:39][CH3:40])[cH:38]2)[S:25][c:26]2[c:27]1[cH:28][cH:29][c:30]([Cl:32])[cH:31]2.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:42]1([N:43]=[C:44]=[N:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:68]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[S:6][C:7]([CH3:12])([CH3:13])[CH:8]1[C:9]([O:10][c:34]1[c:33]([CH:24]2[N:23]([C:20]([CH3:21])=[O:22])[c:27]3[c:26]([cH:31][c:30]([Cl:32])[cH:29][cH:28]3)[S:25]2)[cH:38][c:37]([O:39][CH3:40])[cH:36][cH:35]1)=[O:11]Participants
7
Sources & evidence
- ORD record
- ord-d57faa9410b9465f842c89af58ff9639
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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