HRID1551982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID18450

2-Chloro-4,6-dimethoxy-1,3,5-triazine

C5H6ClN3O2

结构：O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(C(F)(F)F)c1

HCID53401172

2-Chloro-5-[3-(trifluoromethyl)benzamido]benzoic acid

C15H9ClF3NO3

HCID59652746

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3Cl)cn2)cc1

HCID24962909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c0c155ef5bc44c8a59074e39e1f70df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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