Toluene → Ethyl 2,2-difluorotetradecanoate

반응식

[CH2:31]([SnH:32]([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[F:1][C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([CH:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[O:20][C:21]([C:22]([c:23]1[nH:24][cH:25][cH:26][n:27]1)=[O:28])=[S:29])[F:30]>>[F:1][C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[F:30]

참가 물질

반응물 3

HCID 1140Toluene

HCID 5948Tributylstannane

HCID 19047207HCID 19047207, 화합물

생성물 1

HCID 537259Ethyl 2,2-difluorotetradecanoate

출처 및 근거

ORD 기록: ord-b6a9549a58fa4d258bad4b39257daa9f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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