Dimethyl Sulfoxide → 2-(3-Tert-butyl-5-methoxycarbonyl-benzyl)-5-[(triphenylmethyl)thio]-pentanoic acid

반응식

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

참가 물질

반응물 2

HCID 679Dimethyl Sulfoxide

HCID 121446622-(3-Tert-butyl-5-methoxycarbonyl-benzyl)-2-[3-[(triphenyl-methyl)thio]propyl]malonic acid

생성물 1

HCID 121446632-(3-Tert-butyl-5-methoxycarbonyl-benzyl)-5-[(triphenylmethyl)thio]-pentanoic acid

출처 및 근거

ORD 기록: ord-89569ab045f44b65814a52b8b7a5752d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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