HRID1537406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID31862

1-Phenylcyclohexylamine

C12H17N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID4248454

2H-Indazole-5-carboxylic acid

C8H6N2O2

PRODUCTS

生成物

结构：O=C(NC1(c2ccccc2)CCCCC1)c1ccc2[nH]ncc2c1

HCID22933990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b742a21458ac4ae6a7dd185b91ce3452
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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