Toluene → Triethyl [1-[(4-chlorophenyl)methyl]-2-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-7-yl]methanetricarboxylate
Reaction equation
[CH2:23]([CH3:24])[O:25][C:26](=[O:27])[CH:28]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[C:34](=[O:35])[O:36][CH2:37][CH3:38].[CH3:39][P:40]([CH3:41])[CH3:42].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([C:19]([CH3:20])([CH3:21])[CH3:22])[n:11][c:12]3[c:13]2[CH:14]([OH:18])[CH2:15][CH2:16][CH2:17]3)[cH:6][cH:7]1.[O:43]=[C:44]([O:45][CH:46]([CH3:47])[CH3:48])[N:49]=[N:50][C:51]([O:52][CH:53]([CH3:54])[CH3:55])=[O:56].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([C:19]([CH3:20])([CH3:21])[CH3:22])[n:11][c:12]3[c:13]2[CH:14]([C:28]([C:26]([O:25][CH2:23][CH3:24])=[O:27])([C:29](=[O:30])[O:31][CH2:32][CH3:33])[C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:15][CH2:16][CH2:17]3)[cH:6][cH:7]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-b003197913d746a4addd7da03f52f4de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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