Hydrochloric Acid → Hydrochloric Acid

HRID 1538009Notes

Reaction equation

HRID 1538009 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[ClH:1].[ClH:2].[F:31][C:32]([O:33][c:34]1[cH:35][c:36]([N:40]=[C:41]=[O:42])[cH:37][cH:38][cH:39]1)([F:43])[F:44].[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:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[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:41]([NH:40][c:36]1[cH:35][c:34]([O:33][C:32]([F:31])([F:43])[F:44])[cH:39][cH:38][cH:37]1)=[O:42]

Participants

8

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 200675553-(TrifluoroMethoxy)phenyl isocyanateHCID 772151126-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 77215164N-(1-azabicyclo[2.2.2]octan-3-yl)-6-[[3-(trifluoromethoxy)phenyl]carbamoylamino]-1-benzothiophene-2-carboxamide

Sources & evidence

ORD record
ord-861d8675f2ed445d9563ae7997436668
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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