Hydrochloric Acid → Hydrochloric Acid

HRID 95012Notes

Reaction equation

HRID 95012 reaction equation
[CH:29]1([C:35](=[O:36])[Cl:37])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[ClH:1].[NH2:2][c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][cH:12][c:13]3[cH:14][c:15]([C:18](=[O:19])[NH:20][CH:21]4[CH2:22][N:23]5[CH2:24][CH2:25][CH:26]4[CH2:27][CH2:28]5)[s:16][c:17]23)[cH:6][cH:7][cH:8]1>>[ClH:37].[NH:2]([c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][cH:12][c:13]3[cH:14][c:15]([C:18](=[O:19])[NH:20][CH:21]4[CH2:22][N:23]5[CH2:24][CH2:25][CH:26]4[CH2:27][CH2:28]5)[s:16][c:17]23)[cH:6][cH:7][cH:8]1)[C:35]([CH:29]1[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1)=[O:36]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 75938Cyclohexanecarbonyl chlorideHCID 72388838HCID 72388838, compound

Product 2

HCID 313Hydrochloric AcidHCID 17982859N-(1-azabicyclo[2.2.2]octan-3-yl)-7-[3-(cyclohexanecarbonylamino)phenyl]-1-benzothiophene-2-carboxamide

Sources & evidence

ORD record
ord-53389db5f6ef492ebddb732afa95c9ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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