HRID1217528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID83336

2-Methyl-1H-indol-5-ol

C9H9NO

反应SMILES：COc1cc2c(Cl)ncnc2cc1OCCCN1CCN(C(C)=O)CC1

HCID58960229

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCCCN1CCN(C(C)=O)CC1

HCID10152182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cb5817414dd045d8906c04f93b89152c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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