Toluene → (2RS)-3-Hexadecyloxy-2-(5-phenyl-3-isoxazolyloxy)propyl 2-thiazolioethyl phosphate

반응식

[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[P:1](=[O:2])([O:3][CH2:4][CH:5]([CH2:6][O:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[O:24][c:25]1[n:26][o:27][c:28](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:29]1)([O:36][CH2:37][CH2:38][Br:39])[O-:40].[cH:41]1[cH:42][s:43][cH:44][n:45]1>>[P:1](=[O:2])([O:3][CH2:4][CH:5]([CH2:6][O:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[O:24][c:25]1[n:26][o:27][c:28](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:29]1)([O:36][CH2:37][CH2:38][c:44]1[s:43][cH:42][cH:41][nH+:45]1)[O-:40]

참가 물질

반응물 3

HCID 1140Toluene

HCID 9256Thiazole

HCID 19986049HCID 19986049, 화합물

생성물 1

HCID 67869606(2RS)-3-Hexadecyloxy-2-(5-phenyl-3-isoxazolyloxy)propyl 2-thiazolioethyl phosphate

출처 및 근거

ORD 기록: ord-de465019cfb9480992f3540bb88596ad
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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