Toluene → 1-ethoxycarbonyl-4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane

HRID 149394

Reaction equation

HRID 149394 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH2:15][O:16][CH2:17][CH3:18])[cH:19][cH:20][cH:21][cH:22]3)[CH2:6][CH2:7][CH2:8]1.[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl:23][C:24](=[O:25])[O:26][CH2:27][CH3:28]>>[N:2]1([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:3][CH2:4][N:5]([c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH2:15][O:16][CH2:17][CH3:18])[cH:19][cH:20][cH:21][cH:22]3)[CH2:6][CH2:7][CH2:8]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 3219EmedastineHCID 8857Ethyl AcetateHCID 10928Ethyl chloroformate

Product 1

HCID 143561191-ethoxycarbonyl-4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane

Sources & evidence

ORD record
ord-26cbfc3fe0a1414d8e381a1c25cf0728
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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