HRID145888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID57484712

1-(5,6-Dimethoxypyridin-2-yl)methanamine

C8H12N2O2

结构：Cc1cncc(-c2cnc(-c3ccccc3F)c(C(=O)O)c2)c1

HCID58539045

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2F)nc1OC

HCID25225520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33fc2198d593471aae390f75f2e39739
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

[CH2:25]([Cl:26])[CH2:27][Cl:28].[CH3:39][O:40][c:41]1[cH:42][cH:43][c:44]([CH2:49][NH2:50])[n:45][c:46]1[O:47][CH3:48].[CH3:51][N:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[ClH:1].[F:2][c:3]1[c:4](-[c:9]2[c:10]([C:22](=[O:23])[OH:24])[cH:11][c:12](-[c:15]3[cH:16][n:17][cH:18][c:19]([CH3:21])[cH:20]3)[cH:13][n:14]2)[cH:5][cH:6][cH:7][cH:8]1.[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1>>[F:2][c:3]1[c:4](-[c:9]2[c:10]([C:22](=[O:24])[NH:50][CH2:49][c:44]3[cH:43][cH:42][c:41]([O:40][CH3:39])[c:46]([O:47][CH3:48])[n:45]3)[cH:11][c:12](-[c:15]3[cH:16][n:17][cH:18][c:19]([CH3:21])[cH:20]3)[cH:13][n:14]2)[cH:5][cH:6][cH:7][cH:8]1