Water → HCID 66997922, compound
Reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:41][N:42]([c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1)[CH3:49].[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([nH:13][c:14]4[cH:15][cH:16][c:17](-[c:20]5[n:21][n:22]([CH3:25])[cH:23][cH:24]5)[cH:18][c:19]34)[n:26]([CH3:29])[c:27]2=[O:28])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Cl:38][CH2:39][Cl:40].[OH2:37]>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13]([C:31]#[N:32])[c:14]4[cH:15][cH:16][c:17](-[c:20]5[n:21][n:22]([CH3:25])[cH:23][cH:24]5)[cH:18][c:19]34)[n:26]([CH3:29])[c:27]2=[O:28])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-a8b9f58390eb447892244c46c8b7e67d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…