HRID1142205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID66892878

未命名化合物

HCID77133057

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)Cc1ccc(C(C)C(=O)O)cc1)c1ccc(OCC(F)(F)F)cn1

HCID70311775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0999782dd5a5430a86b29468a7d0b5b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:16](=[O:17])([OH:18])[CH2:19][c:20]1[cH:21][cH:22][c:23]([CH:26]([C:27](=[O:28])[OH:29])[CH3:30])[cH:24][cH:25]1.[CH2:31]([Cl:32])[CH2:33][Cl:34].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[F:1][C:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]([CH3:12])[NH2:13])[n:9][cH:10]1)([F:14])[F:15].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:59].[OH:35][n:36]1[c:37]2[n:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[F:1][C:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]([CH3:12])[NH:13][C:16](=[O:17])[CH2:19][c:20]2[cH:21][cH:22][c:23]([CH:26]([C:27](=[O:28])[OH:29])[CH3:30])[cH:24][cH:25]2)[n:9][cH:10]1)([F:14])[F:15]