Toluene → Tert-butyl 4-(1-cyano-2-methoxy-2-oxoethyl)benzoate

반응식

[Br:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6]#[N:7].[CH3:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[CH3:1][O:2][C:3](=[O:4])[CH:5]([C:6]#[N:7])[c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 7747Methyl cyanoacetate

HCID 11334366Tert-butyl 4-bromobenzoate

생성물 1

HCID 57611881Tert-butyl 4-(1-cyano-2-methoxy-2-oxoethyl)benzoate

출처 및 근거

ORD 기록: ord-6fd9dfe2782245b4ae354b3bf65ee1bc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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