Sodium ion → 2-(2-Chloroethyl)-3,4-dihydro-1,4-dimethyl-1H-[1,3,5]triazepino[3,2-a]benzimidazol-5(2H)-one
Reaction equation
[CH3:12][N:13]([c:14]1[n:15][c:16]2[c:17]([nH:18]1)[cH:19][cH:20][cH:21][cH:22]2)[CH:23]1[CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]1.[CH3:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[CH:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH2:34][CH3:35])([CH3:36])[CH3:37].[Cl:1][C:2]([Cl:3])=[O:4].[Cl:40][CH2:41][Cl:42].[Na+:39].[OH-:38].[OH2:43]>>[CH2:2]([Cl:3])[CH2:27][CH:23]1[N:13]([CH3:12])[c:14]2[n:15]([c:16]3[c:17]([n:18]2)[cH:19][cH:20][cH:21][cH:22]3)[C:26](=[O:38])[N:25]([CH3:28])[CH2:24]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-66e7d44c92854a778fe019f94ec1dcc9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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