Acetic Acid → HCID 67435102, compound

HRID 97799Notes

Reaction equation

HRID 97799 reaction equation
[CH3:1][O:2][C:3]([c:4]1[c:5]([O:28][CH2:29][c:30]2[cH:31][c:32]([O:36][CH3:37])[cH:33][cH:34][cH:35]2)[c:6]([Br:27])[cH:7][c:8]([CH:10]2[C:11]([C:25]#[N:26])=[C:12]([CH3:24])[NH:13][C:14]3=[C:19]2[C:18](=[O:20])[CH2:17][CH:16]([CH2:21][CH2:22][CH3:23])[CH2:15]3)[cH:9]1)=[O:38].[CH3:39][C:40](=[O:41])[OH:42].[Na+:50].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH-:49]>>[O:2]=[C:3]([c:4]1[c:5]([O:28][CH2:29][c:30]2[cH:31][c:32]([O:36][CH3:37])[cH:33][cH:34][cH:35]2)[c:6]([Br:27])[cH:7][c:8]([CH:10]2[C:11]([C:25]#[N:26])=[C:12]([CH3:24])[NH:13][C:14]3=[C:19]2[C:18](=[O:20])[CH2:17][CH:16]([CH2:21][CH2:22][CH3:23])[CH2:15]3)[cH:9]1)[OH:38]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 674350333-Bromo-5-(3-cyano-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinolin-4-yl)-2-(3-methoxy-benzyloxy)-benzoic acid methyl ester

Product 1

HCID 67435102HCID 67435102, compound

Sources & evidence

ORD record
ord-165e04641dd04a70b5ff80946029bd9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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