HRID1140814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

2 次

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID78858

N-Methylbenzenesulfonamide

C7H9NO2S

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)O)c3)cc12

HCID59275424

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)N(C)S(=O)(=O)c4ccccc4)c3)cc12

HCID59275496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d77500c164244939a4d66e6f047895f4
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

[CH2:30]([Cl:31])[CH2:32][Cl:33].[CH3:35][NH:36][S:37](=[O:38])(=[O:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:50][N:51]([c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1)[CH3:58].[Cl:46][CH2:47][CH2:48][Cl:49].[ClH:34].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:26])[N:36]([CH3:35])[S:37](=[O:38])(=[O:39])[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:27][cH:28][cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1