HRID2333992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID700

Ethanolamine

C2H7NO

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：Cc1cc(Cl)ccc1NC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)O)n1

HCID59421809

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)ccc1NC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NCCO)n1

HCID59421793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8b5b16a531740e39733b4c48e428fef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Cl-:38].[Cl:1][c:2]1[cH:3][c:4]([CH3:31])[c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[n:13][c:14]([C:28](=[O:29])[OH:30])[n:15]([CH2:17][c:18]3[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:16]2)[cH:6][cH:7]1.[NH2:33][CH2:34][CH2:35][OH:36].[Na+:37].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:32]>>[Cl:1][c:2]1[cH:3][c:4]([CH3:31])[c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[n:13][c:14]([C:28](=[O:30])[NH:33][CH2:34][CH2:35][OH:36])[n:15]([CH2:17][c:18]3[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:16]2)[cH:6][cH:7]1