HRID321267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6386

tert-Butyl alcohol

C4H10O

HCID6422

未命名化合物

HCID14660277

Isoquinolin-7-amine

C9H8N2

结构：O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccnc1F

HCID86093125

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccnc1Nc1ccc2ccncc2c1

HCID11510869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3700ae1743141cf837cb3f7736c8c0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:42]([OH:43])([CH3:44])([CH3:45])[CH3:46].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([C:13]([C:14]([F:15])([F:16])[F:17])([F:18])[F:19])[cH:11][cH:12]2)[cH:20][cH:21][cH:22][n:23]1.[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[NH2:24][c:25]1[cH:26][cH:27][c:28]2[cH:29][cH:30][n:31][cH:32][c:33]2[cH:34]1>>[c:2]1([NH:24][c:25]2[cH:26][cH:27][c:28]3[cH:29][cH:30][n:31][cH:32][c:33]3[cH:34]2)[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([C:13]([C:14]([F:15])([F:16])[F:17])([F:18])[F:19])[cH:11][cH:12]2)[cH:20][cH:21][cH:22][n:23]1