HRID101918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

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：CC(C)(C)OC(=O)NNC(=O)c1cc2cc(Cl)ncc2[nH]1

HCID59830434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9331a012302244119123da3e0afeb6ec
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

[C:14]([NH:15][NH2:16])(=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22].[CH3:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[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:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:58].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]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:16][NH:15][C:14](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:10]2