2-Methylphenyl boronic acid → HCID 86599274, 화합물

반응식

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

참가 물질

반응물 3

HCID 27332672-Methylphenyl boronic acid

HCID 689670744,4,5,5-Tetramethyl-2-(2-(propan-2-yl)phenyl)-1,3,2-dioxaborolane

HCID 86599273HCID 86599273, 화합물

생성물 1

HCID 86599274HCID 86599274, 화합물

출처 및 근거

ORD 기록: ord-e1f6991595e041a4a5df5acd46bb28aa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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