Water → HCID 6320540, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:36]2)[CH:20]=[C:21]([C:33](=[O:34])[OH:35])[CH2:22][CH2:23][CH2:24][N:25]3[CH2:26][c:27]2[cH:28][n:29][n:30]([CH3:32])[cH:31]2)[cH:13][cH:14]1.[CH2:48]([CH2:49][CH3:50])[n:51]1[cH:52][n:53][cH:54][c:55]1[CH2:56][S:57](=[O:58])[c:59]1[cH:60][cH:61][c:62]([NH2:63])[cH:64][cH:65]1.[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[Cl:42][C:43]([C:44]([Cl:45])=[O:46])=[O:47].[Cl:66][CH2:67][Cl:68].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:69]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:36]2)[CH:20]=[C:21]([C:33](=[O:34])[NH:63][c:62]2[cH:61][cH:60][c:59]([S:57]([CH2:56][c:55]4[n:51]([CH2:48][CH2:49][CH3:50])[cH:52][n:53][cH:54]4)=[O:58])[cH:65][cH:64]2)[CH2:22][CH2:23][CH2:24][N:25]3[CH2:26][c:27]2[cH:28][n:29][n:30]([CH3:32])[cH:31]2)[cH:13][cH:14]1Participants
8
Sources & evidence
- ORD record
- ord-264f00f644034d6cb0db654f1c8aa41a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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