HRID136821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID9796

2,6-Difluorobenzoic acid

C7H4F2O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(N)cn1

HCID53487871

5-[5-Methoxy-2-(trifluoromethyl)-1H-benzimidazol-1-yl]pyrazin-2-amine

C13H10F3N5O

PRODUCTS

生成物

结构：COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2c(F)cccc2F)cn1

HCID24751782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea68d19a83e44b29abd38e4cd2f62897
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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