Acetic Acid → HCID 178439412, compound

HRID 1129623Notes

Reaction equation

[Br:1][c:2]1[cH:3][c:4]([CH:24]2[C:25]([C:39]#[N:40])=[C:26]([CH3:38])[NH:27][C:28]3=[C:33]2[C:32](=[O:34])[CH2:31][CH:30]([CH2:35][CH2:36][CH3:37])[CH2:29]3)[cH:5][c:6]([O:21][CH2:22][CH3:23])[c:7]1[O:8][CH2:9][c:10]1[c:11]([N+:18]([O-:19])=[O:20])[cH:12][c:13]([F:17])[c:14]([F:16])[cH:15]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:41][C:42](=[O:43])[OH:44].[Zn:50]>>[Br:1][c:2]1[cH:3][c:4]([CH:24]2[C:25]([C:39]#[N:40])=[C:26]([CH3:38])[NH:27][C:28]3=[C:33]2[C:32](=[O:34])[CH2:31][CH:30]([CH2:35][CH2:36][CH3:37])[CH2:29]3)[cH:5][c:6]([O:21][CH2:22][CH3:23])[c:7]1[O:8][CH2:9][c:10]1[c:11]([NH2:18])[cH:12][c:13]([F:17])[c:14]([F:16])[cH:15]1

Participants

Reactant 4

HCID 176Acetic Acid

HCID 8028Tetrahydrofuran

HCID 23994Zinc

HCID 1784394134-[3-bromo-4-[(4,5-difluoro-2-nitrophenyl)methoxy]-5-ethoxyphenyl]-2-methyl-5-oxo-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Product 1

HCID 178439412HCID 178439412, compound

Sources & evidence

ORD record: ord-b42c0b2ff3804cc4b1fd6d00a8a99137
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…