HRID102102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14268

4-Bromopyridine

C5H4BrN

结构：COc1ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

HCID11733735

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2cc(C(O)(c3ccncc3)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

HCID22018395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0471cf8f37ba45d7816cd8cd6cca1729
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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