Glycerol → 2,3-Dihydroxypropyl 4-(n-hexadecylamino)benzoate

반응식

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

참가 물질

반응물 3

HCID 753Glycerol

HCID 1140Toluene

HCID 472634-(Hexadecylamino)benzoic acid

생성물 1

HCID 130193802,3-Dihydroxypropyl 4-(n-hexadecylamino)benzoate

출처 및 근거

ORD 기록: ord-91e73b9a94ad4612849ceeac699ba057
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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