HRID2320747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID12833653

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：COc1ccc(C2(CNC(=O)c3cc4cc(Cl)ncc4[nH]3)OCCO2)cc1

HCID59753533

5-Chloro-N-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C19H18ClN3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0effc3e7e08649fea7ead2efb61bfba0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]2([CH2:14][NH2:15])[O:10][CH2:11][CH2:12][O:13]2)[cH:7][cH:8]1.[CH3:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58].[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[Cl:25][c:26]1[cH:27][c:28]2[c:29]([cH:30][n:31]1)[nH:32][c:33]([C:35](=[O:36])[OH:37])[cH:34]2.[Cl:59][CH2:60][Cl:61].[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]2([CH2:14][NH:15][C:35]([c:33]3[nH:32][c:29]4[c:28]([cH:27][c:26]([Cl:25])[n:31][cH:30]4)[cH:34]3)=[O:36])[O:10][CH2:11][CH2:12][O:13]2)[cH:7][cH:8]1