O-Xylene → HCID 19831354, 화합물

반응식

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

참가 물질

반응물 3

HCID 7237O-Xylene

HCID 113466831-Octyloxy-2,2,6,6-tetramethylpiperidin-4-ol

HCID 14618907Methyl 4-Benzoyl-3-hydroxyphenoxyacetate

생성물 1

HCID 19831354HCID 19831354, 화합물

출처 및 근거

ORD 기록: ord-3e553c8f1a4a4cdfa1872530c6c577b3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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