Ethyl Acetate → Chloride

HRID 688167Notes

Reaction equation

HRID 688167 reaction equation
[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[N:11]12[CH2:12][CH:13]([NH:19][C:20]([O:21][CH:22]([c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)=[O:37])[CH:14]([CH2:15][CH2:16]1)[CH2:17][CH2:18]2>>[CH2:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N+:11]12[CH2:12][CH:13]([NH:19][C:20]([O:21][CH:22]([c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)=[O:37])[CH:14]([CH2:15][CH2:16]1)[CH2:17][CH2:18]2.[Cl-:1]

Participants

5

Reactant 3

HCID 8857Ethyl AcetateHCID 107572-ChloroacetophenoneHCID 70925891HCID 70925891, compound

Product 2

HCID 312ChlorideHCID 77895550HCID 77895550, compound

Sources & evidence

ORD record
ord-a4b3d81f28044f7393a0558458386f13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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