HRID91808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID22030722

1H-Pyrrolo[2,3-b]pyridin-5-ol

C7H6N2O

结构：COc1cc2c(Cl)ncnc2cc1OCCCN1CCN(C(=O)OC(C)(C)C)CC1

HCID86597573

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3cnc4[nH]ccc4c3)ncnc2cc1OCCCN1CCN(C(=O)OC(C)(C)C)CC1

HCID67019231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a39810de83ea4d40b1bfca7deb026729
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:41](=[O:42])([O-:43])[O-:44].[CH3:47][N:48]([CH3:49])[C:50](=[O:51])[CH3:52].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[CH2:19][CH2:20][N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12.[K+:45].[K+:46].[OH:31][c:32]1[cH:33][c:34]2[cH:35][cH:36][nH:37][c:38]2[n:39][cH:40]1>>[c:2]1([O:31][c:32]2[cH:33][c:34]3[cH:35][cH:36][nH:37][c:38]3[n:39][cH:40]2)[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[CH2:19][CH2:20][N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12