HRID96369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID77317

4-Pyridinemethanamine

C6H8N2

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)O)c1

HCID668139

未命名化合物

PRODUCTS

生成物

结构：O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)NCc2ccncc2)c1

HCID58001341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5eb4a98d56e4914a6d9018ccc677198
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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