Toluene → Methyl 4-(3-(dibutylamino)propoxy)benzoate

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 8148Dibutylamine

HCID 43835988HCID 43835988, 화합물

생성물 1

HCID 9836814Methyl 4-(3-(dibutylamino)propoxy)benzoate

출처 및 근거

ORD 기록: ord-751d4ff623ef40778db5af9ae5afd7bf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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