Hydrochloric Acid → Hydrochloric Acid

HRID 678076Notes

Reaction equation

HRID 678076 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][O:32][c:33]1[c:34]([C:42]([F:43])([F:44])[F:45])[cH:35][c:36]([N:39]=[C:40]=[O:41])[cH:37][cH:38]1.[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:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[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:40]([NH:39][c:36]1[cH:35][c:34]([C:42]([F:43])([F:44])[F:45])[c:33]([O:32][CH3:31])[cH:38][cH:37]1)=[O:41]

Participants

8

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 151329554-Isocyanato-1-methoxy-2-(trifluoromethyl)benzeneHCID 772151126-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 77215091N-(1-azabicyclo[2.2.2]octan-3-yl)-6-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-2-carboxamide

Sources & evidence

ORD record
ord-d2afe6a646dc4edcaf50736829196bd7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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