Acetic Acid → HCID 69204021, compound

HRID 212934Notes

Reaction equation

HRID 212934 reaction equation
[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][cH:10][c:11]([NH2:15])[c:12]2[cH:13][cH:14]1.[CH3:37][C:38](=[O:39])[OH:40].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl:16][c:17]1[cH:18][c:19]([O:35][CH3:36])[c:20]([C:23]([CH2:24][C:25]([CH:26]=[O:27])([C:28]([F:29])([F:30])[F:31])[OH:32])([CH3:33])[CH3:34])[cH:21][cH:22]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][cH:10][c:11]([N:15]=[CH:26][C:25]([CH2:24][C:23]([c:20]3[c:19]([O:35][CH3:36])[cH:18][c:17]([Cl:16])[cH:22][cH:21]3)([CH3:33])[CH3:34])([C:28]([F:29])([F:30])[F:31])[OH:32])[c:12]2[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 1140TolueneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 219489374-(4-Chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanalHCID 45089604Methyl 5-aminoquinoline-2-carboxylate

Product 1

HCID 69204021HCID 69204021, compound

Sources & evidence

ORD record
ord-823e218f94354fd1ad850e1baaf9d603
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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