Water → HCID 69521907, 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:32]2)[CH:20]=[C:21]([C:29](=[O:30])[OH:31])[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:62].[S:38]([Cl:39])([Cl:40])=[O:41].[n:42]1[n:43][c:44]([CH2:48][S:49][c:50]2[cH:51][cH:52][c:53]([NH2:54])[cH:55][cH:56]2)[cH:45][cH:46][cH:47]1>>[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:32]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:54][c:53]2[cH:52][cH:51][c:50]([S:49][CH2:48][c:44]4[n:43][n:42][cH:47][cH:46][cH:45]4)[cH:56][cH:55]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1Participants
8
Sources & evidence
- ORD record
- ord-dcc46ac6264f40cc98f6bb96f7b22a58
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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