Ethyl Acetate → Hydrochloric Acid

HRID 160473Notes

Reaction equation

HRID 160473 reaction equation
[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cl:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH3:7])[c:8]([N:12]([CH:13]([CH3:14])[CH3:15])[c:16]1[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]1)[cH:9][cH:10][cH:11]2.[Cl:23][c:24]1[cH:25][c:26]([O:32][CH3:33])[c:27]([NH2:28])[c:29]([CH3:31])[cH:30]1>>[ClH:1].[c:2]1([NH:28][c:27]2[c:26]([O:32][CH3:33])[cH:25][c:24]([Cl:23])[cH:30][c:29]2[CH3:31])[n:3][c:4]2[c:5]([n:6]1[CH3:7])[c:8]([N:12]([CH:13]([CH3:14])[CH3:15])[c:16]1[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]1)[cH:9][cH:10][cH:11]2

Participants

5

Reactant 3

HCID 8857Ethyl AcetateHCID 591919724-Chloro-2-methoxy-6-methylanilineHCID 685826702-chloro-N-(4-chlorophenyl)-N-isopropyl-1-methyl-1H-benzimidazol-7-amine

Product 2

HCID 313Hydrochloric AcidHCID 588964652-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-chlorophenyl)-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine

Sources & evidence

ORD record
ord-fc49539fc17a40559591a8349bfc2fac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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