Hydrochloric Acid → 4-Chloro-3-[5-chloro-1-methyl-6-(3-(trifluoromethyl)piperidin-1-yl)-1H-benzo[d]imidazol-2-ylamino]benzylamine

HRID 2322088Notes

Reaction equation

HRID 2322088 reaction equation
[Cl:2][c:3]1[c:4]([NH:18][c:19]2[n:20][c:21]3[c:22]([n:23]2[CH3:24])[cH:25][c:26]([N:30]2[CH2:31][CH:32]([C:36]([F:37])([F:38])[F:39])[CH2:33][CH2:34][CH2:35]2)[c:27]([Cl:29])[cH:28]3)[cH:5][c:6]([CH2:7][NH:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17]1.[ClH:1].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:46]>>[Cl:2][c:3]1[c:4]([NH:18][c:19]2[n:20][c:21]3[c:22]([n:23]2[CH3:24])[cH:25][c:26]([N:30]2[CH2:31][CH:32]([C:36]([F:37])([F:38])[F:39])[CH2:33][CH2:34][CH2:35]2)[c:27]([Cl:29])[cH:28]3)[cH:5][c:6]([CH2:7][NH2:8])[cH:16][cH:17]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 962WaterHCID 312751,4-DioxaneHCID 67958331Tert-butyl N-{4-chloro-3-[5-chloro-1-methyl-6-(3-(trifluoromethyl)piperidin-1-yl)-1H-benzo[d]imidazol-2-ylamino]benzyl}-carbamate

Product 1

HCID 679582014-Chloro-3-[5-chloro-1-methyl-6-(3-(trifluoromethyl)piperidin-1-yl)-1H-benzo[d]imidazol-2-ylamino]benzylamine

Sources & evidence

ORD record
ord-e12881d6d42a4701a3610876d564174a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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