Water → HCID 91139838, compound
Reaction equation
[C:41]([CH3:42])(=[S:43])[OH:44].[CH2:45]([O:46][CH:47]([O:48][CH2:49][C:50]([CH3:51])([CH3:52])[CH3:53])[N:54]([CH3:55])[CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60].[CH3:1][O:2][C:3](=[O:4])[CH2:5][n:6]1[n:7][n:8][cH:9][c:10]1[CH:11]=[C:12]1[CH2:13][N:14]([C:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:15][CH2:16][CH:17]1[OH:18].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[Cl:38][CH2:39][Cl:40].[OH2:61]>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][n:6]1[n:7][n:8][cH:9][c:10]1[CH:11]=[C:12]1[CH2:13][N:14]([C:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:15][CH2:16][CH:17]1[S:43][C:41]([CH3:42])=[O:44]Participants
7
Sources & evidence
- ORD record
- ord-1e5022047e23461fa7be19d4e6f61089
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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