HRID1557373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID6341

Ethanamine

C2H7N

结构：Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(Cl)cc2n(C)c1=O

HCID59833848

未命名化合物

PRODUCTS

生成物

结构：CCNc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc1C)c(=O)n2C

HCID11488479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-247acadb1d544ee1807ebb2eb427d480
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:37]([OH:38])[CH2:39][CH2:40][CH3:41].[CH3:34][CH2:35][NH2:36].[Cl:1][c:2]1[n:3][cH:4][c:5]2[cH:6][c:7](-[c:14]3[cH:15][c:16]([NH:21][C:22]([c:23]4[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]4)=[O:33])[cH:17][cH:18][c:19]3[CH3:20])[c:8](=[O:13])[n:9]([CH3:12])[c:10]2[cH:11]1>>[c:2]1([NH:36][CH2:35][CH3:34])[n:3][cH:4][c:5]2[cH:6][c:7](-[c:14]3[cH:15][c:16]([NH:21][C:22]([c:23]4[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]4)=[O:33])[cH:17][cH:18][c:19]3[CH3:20])[c:8](=[O:13])[n:9]([CH3:12])[c:10]2[cH:11]1