HCID 57910762, 화합물 → 6-{1,2-Dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl}pyridin-3-ol

반응식

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

참가 물질

반응물 2

HCID 57910762HCID 57910762, 화합물

HCID 579107912-{1,2-Dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl}-5-(pyridin-2-ylmethoxy)pyridine

생성물 1

HCID 579108026-{1,2-Dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl}pyridin-3-ol

출처 및 근거

ORD 기록: ord-dde9e62bdec4401eaafe103fdeadc20c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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