Anisole → 6,7-Bis(palmitoyloxy)-4-thiaheptanoic acid

반응식

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][C:9]([CH2:10][CH2:11][S:12][CH2:13][CH:14]([CH2:15][O:16][C:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])=[O:33])[O:34][C:35]([CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])=[O:51])=[O:52])[cH:53][cH:54]1.[CH3:55][O:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[O:8]=[C:9]([CH2:10][CH2:11][S:12][CH2:13][CH:14]([CH2:15][O:16][C:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])=[O:33])[O:34][C:35]([CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])=[O:51])[OH:52]

참가 물질

반응물 2

HCID 7519Anisole

HCID 106052466,7-Bis(palmitoyloxy)-4-thiaheptanoic acid p-methoxybenzyl ester

생성물 1

HCID 105562786,7-Bis(palmitoyloxy)-4-thiaheptanoic acid

출처 및 근거

ORD 기록: ord-40ac15fb6a084799af6057128547a92e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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