Acetic Acid → HCID 69202580, compound

HRID 319590Notes

Reaction equation

HRID 319590 reaction equation
[CH3:23][O:24][C:25](=[O:26])[c:27]1[n:28][c:29]2[cH:30][cH:31][cH:32][c:33]([NH2:37])[c:34]2[cH:35][cH:36]1.[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[cH:3][c:4]([C:11]([CH2:12][C:13]([CH:14]=[O:15])([C:16]([F:17])([F:18])[F:19])[OH:20])([CH3:21])[CH3:22])[c:5]2[c:6]([cH:10]1)[CH2:7][CH2:8][O:9]2>>[Cl:1][c:2]1[cH:3][c:4]([C:11]([CH2:12][C:13]([CH:14]=[N:37][c:33]2[cH:32][cH:31][cH:30][c:29]3[n:28][c:27]([C:25]([O:24][CH3:23])=[O:26])[cH:36][cH:35][c:34]32)([C:16]([F:17])([F:18])[F:19])[OH:20])([CH3:21])[CH3:22])[c:5]2[c:6]([cH:10]1)[CH2:7][CH2:8][O:9]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 1140TolueneHCID 219488914-(5-Chloro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanalHCID 45089604Methyl 5-aminoquinoline-2-carboxylate

Product 1

HCID 69202580HCID 69202580, compound

Sources & evidence

ORD record
ord-79ce0170c7d4435a9092232698736294
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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