p-Toluenesulfonic acid → HCID 77553899, 화합물

반응식

[Cl:12][c:13]1[c:14]([CH2:63][c:64]2[cH:65][cH:66][c:67]([CH2:70][CH3:71])[cH:68][cH:69]2)[cH:15][c:16]([C:20]2([CH2:59][C:60](=[CH2:61])[CH3:62])[O:21][CH:22]([CH2:50][O:51][CH2:52][c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[CH:23]([O:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH:24]([O:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH:25]2[O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:17]([OH:19])[cH:18]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[Cl:12][c:13]1[c:14]([CH2:63][c:64]2[cH:65][cH:66][c:67]([CH2:70][CH3:71])[cH:68][cH:69]2)[cH:15][c:16]([C:20]2([CH:59]=[C:60]([CH3:61])[CH3:62])[O:21][CH:22]([CH2:50][O:51][CH2:52][c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[CH:23]([O:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH:24]([O:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH:25]2[O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:17]([OH:19])[cH:18]1

참가 물질

반응물 2

HCID 6101p-Toluenesulfonic acid

HCID 775545125-Chloro-4-[(4-ethylphenyl)methyl]-2-[2-(2-methylprop-2-enyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenol

생성물 1

HCID 77553899HCID 77553899, 화합물

출처 및 근거

ORD 기록: ord-c666f29c67d04a199afc9ccd8f9c6992
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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