Sodium ion → [1-(2-Diethylamino-ethyl)-2-(4-ethoxy-benzyl)-1H-benzoimidazol-5-yl]-thiourea
Reaction equation
[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][n:6]1[c:7]([CH2:27][c:28]2[cH:29][cH:30][c:31]([O:34][CH2:35][CH3:36])[cH:32][cH:33]2)[n:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([NH:15][C:16](=[S:17])[NH:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[cH:14]2)[CH2:37][CH3:38].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Na+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH-:39]>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][n:6]1[c:7]([CH2:27][c:28]2[cH:29][cH:30][c:31]([O:34][CH2:35][CH3:36])[cH:32][cH:33]2)[n:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([NH:15][C:16](=[S:17])[NH2:18])[cH:14]2)[CH2:37][CH3:38]Participants
6
Sources & evidence
- ORD record
- ord-df78a676d0884d8099a94778ec9db72b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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