Hydrochloric Acid → HCID 178472028, compound

HRID 1130712Notes

Reaction equation

HRID 1130712 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[CH:6][N:7]([CH3:8])[CH3:9])[C:10]([c:11]1[c:12]([F:28])[cH:13][c:14]([O:26][CH3:27])[c:15]([CH2:17][c:18]2[c:19]([F:25])[c:20]([Cl:24])[cH:21][cH:22][cH:23]2)[cH:16]1)=[O:29])=[O:30].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[ClH:38].[NH2:31][CH:32]([CH2:33][OH:34])[CH:35]([CH3:36])[CH3:37]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[CH:6][NH:31][CH:32]([CH2:33][OH:34])[CH:35]([CH3:36])[CH3:37])[C:10]([c:11]1[c:12]([F:28])[cH:13][c:14]([O:26][CH3:27])[c:15]([CH2:17][c:18]2[c:19]([F:25])[c:20]([Cl:24])[cH:21][cH:22][cH:23]2)[cH:16]1)=[O:29])=[O:30]

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 1140TolueneHCID 79019ValinolHCID 689553422-(5-(3-Chloro-2-fluorobenzyl)-2-fluoro-4-methoxybenzoyl)-3-dimethylaminoacrylic acid ethyl ester

Product 1

HCID 178472028HCID 178472028, compound

Sources & evidence

ORD record
ord-06c8fb3544824c06aed16e9c84e77a04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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