Hydrochloric Acid → Hydrochloric Acid

HRID 696193Notes

Reaction equation

HRID 696193 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[ClH:1].[ClH:2].[NH2:3][c:4]1[cH:5][c:6]2[c:7]([cH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]3[CH2:15][N:16]4[CH2:17][CH2:18][CH:19]3[CH2:20][CH2:21]4)[s:10]2)[cH:22][cH:23]1.[O:31]=[C:32]=[N:33][CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[ClH:1].[NH:3]([c:4]1[cH:5][c:6]2[c:7]([cH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]3[CH2:15][N:16]4[CH2:17][CH2:18][CH:19]3[CH2:20][CH2:21]4)[s:10]2)[cH:22][cH:23]1)[C:32](=[O:31])[NH:33][CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1

Participants

8

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 18502Cyclohexyl isocyanateHCID 772151126-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 77215168N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(cyclohexylcarbamoylamino)-1-benzothiophene-2-carboxamide

Sources & evidence

ORD record
ord-0ee99db8a1ac41528186d7320d530448
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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