HRID179060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6115

Aniline

C6H7N

HCID6422

未命名化合物

HCID10009

3-Pyridinamine

C5H6N2

结构：Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2C)cc1C(=O)Nc1cnc(Cl)nc1

HCID59381868

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2C)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1

HCID59381897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ba360c4e8194b3aba7be8815c3dac54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH:53]([OH:54])([CH3:55])[CH3:56].[Cl:1][c:2]1[n:3][cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([NH:18][C:19]([c:20]3[c:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)=[O:31])[cH:14][cH:15][c:16]2[CH3:17])[cH:6][n:7]1.[NH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45].[n:32]1[cH:33][c:34]([NH2:38])[cH:35][cH:36][cH:37]1>>[c:2]1([NH:38][c:34]2[cH:33][n:32][cH:37][cH:36][cH:35]2)[n:3][cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([NH:18][C:19]([c:20]3[c:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)=[O:31])[cH:14][cH:15][c:16]2[CH3:17])[cH:6][n:7]1