Water → HCID 178502126, compound
Reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][O:40][C:41](=[O:42])[Cl:43].[Cl:29][CH2:30][Cl:31].[NH2:1][CH:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([C:9]#[N:10])[cH:11][cH:12]1)[CH2:13][N:14]1[CH:15]2[CH2:16][N:17]([CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:18][CH:19]1[CH2:20][CH2:21]2.[OH2:44]>>[NH:1]([CH:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([C:9]#[N:10])[cH:11][cH:12]1)[CH2:13][N:14]1[CH:15]2[CH2:16][N:17]([CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:18][CH:19]1[CH2:20][CH2:21]2)[C:41]([O:40][CH3:39])=[O:42]Participants
6
Sources & evidence
- ORD record
- ord-d6602eade79f4a9bb3be271be47b4cbd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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