HRID117211

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

HCID5239179

未命名化合物

HCID44630704

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

C8H5ClN2O2

PRODUCTS

生成物

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

HCID72767426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52be6546baf3485d86dba9de13c8cb26
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

[CH3:14][O:15][C:16]([CH:17]([CH:18]([CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH2:26])[OH:27])=[O:28].[CH3:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[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:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]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:26][CH:18]([CH:17]([C:16]([O:15][CH3:14])=[O:28])[OH:27])[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[cH:10]2