Reaction equation
[CH3:39][CH2:40][OH:41].[Cl:1][c:2]1[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[cH:7][c:8]([O:15][CH2:16][CH3:17])[c:9]([O:12][CH2:13][CH3:14])[cH:10][c:11]12.[ClH:20].[ClH:21].[NH2:22][c:23]1[cH:24][cH:25][c:26]2[c:30]([cH:31]1)[NH:29][CH2:28][CH2:27]2.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:38]>>[c:2]1([NH:22][c:23]2[cH:24][cH:25][c:26]3[c:30]([cH:31]2)[NH:29][CH2:28][CH2:27]3)[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[cH:7][c:8]([O:15][CH2:16][CH3:17])[c:9]([O:12][CH2:13][CH3:14])[cH:10][c:11]12Participants
8
Sources & evidence
- ORD record
- ord-121204adeb0d4ed29101137dc919f4df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Linked notes
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