Ethyl Acetate → Chloride

HRID 147605Notes

Reaction equation

HRID 147605 reaction equation
[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[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][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)=[O:35])[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][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)=[O:35])[CH:14]([CH2:15][CH2:16]1)[CH2:17][CH2:18]2.[Cl-:1]

Participants

5

Reactant 3

HCID 8857Ethyl AcetateHCID 107572-ChloroacetophenoneHCID 70925598HCID 70925598, compound

Product 2

HCID 312ChlorideHCID 89106291HCID 89106291, compound

Sources & evidence

ORD record
ord-206507e4536d47ceb3ab6346091e0899
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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