HRID1211718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID2736778

2-Methoxypyrimidine-5-boronic acid

C5H7BN2O3

结构：Brc1cccc2c1CC(N(Cc1ccccc1)Cc1ccccc1)CC2

HCID18622522

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(-c2cccc3c2CC(N(Cc2ccccc2)Cc2ccccc2)CC3)cn1

HCID140551728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9c3dc2ba2db496b9e5913ba4734ade4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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