Hydrochloric Acid → Hydrochloric Acid

HRID 159493Notes

Reaction equation

HRID 159493 reaction equation
[C:31]([CH3:32])([CH3:33])([CH3:34])[N:35]=[C:36]=[O:37].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]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:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[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:36]([NH:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:37]

Participants

8

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 62412tert-Butyl isocyanateHCID 772151126-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 77215162N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(tert-butylcarbamoylamino)-1-benzothiophene-2-carboxamide

Sources & evidence

ORD record
ord-a95425532da04b02a646321aee9d70f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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