Acetonitrile → [3-[2-(Acetyloxymethyl)-4-amino-5-chloro-3-methylphenyl]-1-methoxy-1-oxopropan-2-yl] benzoate

반응식

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]([C:11](=[O:12])[O:13][CH3:14])[CH2:15][c:16]1[c:17]([CH2:24][O:25][C:26]([CH3:27])=[O:28])[c:18]([CH3:23])[c:19]([NH2:22])[cH:20][cH:21]1.[CH3:29][C:30]#[N:31].[Cl:32][N:33]1[C:34](=[O:35])[CH2:36][CH2:37][C:38]1=[O:39]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]([C:11](=[O:12])[O:13][CH3:14])[CH2:15][c:16]1[c:17]([CH2:24][O:25][C:26]([CH3:27])=[O:28])[c:18]([CH3:23])[c:19]([NH2:22])[c:20]([Cl:32])[cH:21]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 31398Chlorosuccinimide

HCID 67318985[3-[2-(Acetyloxymethyl)-4-amino-3-methylphenyl]-1-methoxy-1-oxopropan-2-yl] benzoate

생성물 1

HCID 72369867[3-[2-(Acetyloxymethyl)-4-amino-5-chloro-3-methylphenyl]-1-methoxy-1-oxopropan-2-yl] benzoate

출처 및 근거

ORD 기록: ord-3008aa2de2e44198841de72d1c1eb6b0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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