Water → HCID 77165820, compound
Reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cl:1][c:2]1[c:3]([CH3:18])[c:4]([NH:10][CH:11]([C:12](=[O:13])[OH:14])[CH:15]([CH3:16])[OH:17])[cH:5][cH:6][c:7]1[C:8]#[N:9].[F:19][C:20]([c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:27][NH2:28])[cH:29][cH:30]1)([F:31])[F:32].[OH2:33].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[Cl:1][c:2]1[c:3]([CH3:18])[c:4]([NH:10][CH:11]([C:12](=[O:14])[NH:28][NH:27][C:25]([c:24]2[cH:23][cH:22][c:21]([C:20]([F:19])([F:31])[F:32])[cH:30][cH:29]2)=[O:26])[CH:15]([CH3:16])[OH:17])[cH:5][cH:6][c:7]1[C:8]#[N:9]Participants
7
Sources & evidence
- ORD record
- ord-0ca6cbb2b2104656b76fb03ef729196e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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