HRID694930

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

HCID70301

2-Phenylacetic hydrazide

C8H10N2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID44630704

5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

C8H5ClN2O2

PRODUCTS

生成物

结构：O=C(Cc1ccccc1)NNC(=O)c1cc2cc(Cl)ncc2[nH]1

HCID59830436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7f2a50b35944f26a7eec114f2b0b8fd
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

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