4-Isopropylphenol → 2-Chloro-3-{[4-(1-methylethyl)phenoxy]methyl}pyridine

HRID 174239

반응식

HRID 174239 반응식
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH:20]([CH3:21])([CH3:22])[c:23]1[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]1.[Cl:30][c:31]1[n:32][cH:33][cH:34][cH:35][c:36]1[CH2:37][OH:38].[O:39]=[C:40]([O:41][CH2:42][CH3:43])[N:44]=[N:45][C:46]([O:47][CH2:48][CH3:49])=[O:50].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH:20]([CH3:21])([CH3:22])[c:23]1[cH:24][cH:25][c:26]([O:29][CH2:37][c:36]2[c:31]([Cl:30])[n:32][cH:33][cH:34][cH:35]2)[cH:27][cH:28]1

참가 물질

6

출처 및 근거

ORD 기록
ord-b418e9939c7d43309066e23d3b4c36d3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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