HRID1138506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID3759744

2-(4-Bromo-3-oxobutyl)-1H-isoindole-1,3(2H)-dione

C12H10BrNO3

结构：CC(C)C(N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID22238798

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NCC(=O)CCN1C(=O)c2ccccc2C1=O)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID69078647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8031e80c50284ce2b150b172e6c6f759
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:25][CH2:26][C:27]([CH2:28][CH2:29][N:30]1[C:31](=[O:40])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[C:38]1=[O:39])=[O:41].[C:42](=[O:43])([O-:44])[O-:45].[K+:46].[K+:47].[NH2:1][CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[n:7][c:8]2[cH:9][c:10]([Cl:24])[cH:11][cH:12][c:13]2[c:14](=[O:23])[n:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53]>>[NH:1]([CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[n:7][c:8]2[cH:9][c:10]([Cl:24])[cH:11][cH:12][c:13]2[c:14](=[O:23])[n:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:26][C:27]([CH2:28][CH2:29][N:30]1[C:31](=[O:40])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[C:38]1=[O:39])=[O:41]