Hydrochloric Acid → Hydrochloric Acid

HRID 701711

Reaction equation

HRID 701711 reaction equation
[CH2:39][CH3:40].[Cl:32][CH2:33][C:34](=[O:35])[N:36]([CH3:37])[CH3:38].[ClH:41].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][n:16]3[c:17](=[O:27])[nH:18][c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[c:25]3=[O:26])[CH2:12][CH2:13]2)[cH:28][cH:29]1.[H-:31].[Na+:30].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:47]>>[ClH:32].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][n:16]3[c:17](=[O:27])[n:18]([CH2:33][C:34](=[O:35])[N:36]([CH3:37])[CH3:38])[c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[c:25]3=[O:26])[CH2:12][CH2:13]2)[cH:28][cH:29]1

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 3822KetanserinHCID 6228DimethylformamideHCID 758862-chloro-N,N-dimethylacetamideHCID 123138EthylHCID 166653Hydride

Product 2

HCID 313Hydrochloric AcidHCID 22322409HCID 22322409, compound

Sources & evidence

ORD record
ord-dde35d3399eb4dc8aae076a7935840d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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