Hydrochloric Acid → Hydrochloric Acid

HRID 123300

Reaction equation

HRID 123300 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[C:47]([O:48][CH2:49][CH3:50])(=[O:51])[CH3:52].[CH3:27][O:28][c:29]1[cH:30][c:31]([CH2:37][CH2:38][NH:39][CH3:40])[cH:32][cH:33][c:34]1[O:35][CH3:36].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([CH:11]=[CH:12][c:13]2[cH:14][c:15](-[c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:16][cH:17][cH:18]2)=[O:26])[cH:7][cH:8]1.[ClH:53].[K+:45].[K+:46].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:65]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([CH:11]=[CH:12][c:13]2[cH:14][c:15](-[c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:16][cH:17][cH:18]2)=[O:26])[cH:7][cH:8]1)[N:39]([CH2:38][CH2:37][c:31]1[cH:30][c:29]([O:28][CH3:27])[c:34]([O:35][CH3:36])[cH:33][cH:32]1)[CH3:40].[ClH:1]

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl Acetate2×HCID 19660Carbonate IonHCID 77039N-MethylhomoveratrylamineHCID 54107296N-[4-(chloromethyl)phenyl]-3-[3-(4-methylphenyl)phenyl]prop-2-enamide

Product 2

HCID 313Hydrochloric AcidHCID 54376362N-[4-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]phenyl]-3-[3-(4-methylphenyl)phenyl]prop-2-enamide

Sources & evidence

ORD record
ord-976c8a3e4280408e8348a2eb21ff6920
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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