HRID1240088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID311996

3,4-dichlorobenzohydrazide

C7H6Cl2N2O

HCID11665585

5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

C8H5ClN2O2

PRODUCTS

生成物

结构：O=C(NNC(=O)c1cc2nc(Cl)ccc2[nH]1)c1ccc(Cl)c(Cl)c1

HCID59830414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d164fff3b63941cebf8c62476beb504c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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