Water → HCID 57600239, compound
Reaction equation
[CH3:38][C:39]#[N:40].[NH2:1][CH2:2][CH2:3][c:4]1[n:5][n:6][c:7]2[n:8]1[c:9](=[O:22])[c:10]1[nH:11][c:12]([Br:21])[n:13][c:14]1[n:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].[O:23]=[C:24]=[N:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[OH2:37]>>[NH:1]([CH2:2][CH2:3][c:4]1[n:5][n:6][c:7]2[n:8]1[c:9](=[O:22])[c:10]1[nH:11][c:12]([Br:21])[n:13][c:14]1[n:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[C:24](=[O:23])[NH:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1Participants
6
Sources & evidence
- ORD record
- ord-2a96cece64434291bd95e238fd00a7b3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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