HRID691339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2733703

2,4,6-Trichlorobenzoyl chloride

C7H2Cl4O

HCID10847454

2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoic acid

C11H9ClN2O2

HCID11030760

未命名化合物

PRODUCTS

生成物

结构：Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1

HCID9888109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-117acc6bd46046959e5a7548e9813e69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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