HRID319245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8113

Diethanolamine

C4H11NO2

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID73408688

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N(CCO)CCO

HCID68684273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3a6f47d8074489484ed923dda680b6d
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

[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:37])[N:9]=[C:10]([c:24]3[c:25]([O:34][CH2:35][CH3:36])[cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[N:11]([C:21](=[O:22])[Cl:23])[C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1.[OH:38][CH2:39][CH2:40][NH:41][CH2:42][CH2:43][OH:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:37])[N:9]=[C:10]([c:24]3[c:25]([O:34][CH2:35][CH3:36])[cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[N:11]([C:21](=[O:22])[N:41]([CH2:40][CH2:39][OH:38])[CH2:42][CH2:43][OH:44])[C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1