HRID1142872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

结构：CN1C(=O)C(Br)=C(c2cn(C)c3ccccc23)C1=O

HCID9818471

3-Bromo-1-methyl-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione

C14H11BrN2O2

HCID18403555

4-[2-(3-Iodophenoxy)ethyl]morpholine

C12H16INO2

PRODUCTS

生成物

结构：CN1C(=O)C(c2cccc(OCCN3CCOCC3)c2)=C(c2cn(C)c3ccccc23)C1=O

HCID18403518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74bf189d499e4186b9d4a6ec83e9aaf0
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:22][C:23]1=[C:27]([c:28]2[cH:29][n:30]([CH3:37])[c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[C:26](=[O:38])[N:25]([CH3:39])[C:24]1=[O:40].[C:41](=[O:42])([O-:43])[O-:44].[CH3:18][C:19](=[O:20])[O-:21].[K+:17].[Na+:45].[Na+:46].[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([I:16])[cH:13][cH:14][cH:15]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([C:23]3=[C:27]([c:28]4[cH:29][n:30]([CH3:37])[c:31]5[cH:32][cH:33][cH:34][cH:35][c:36]45)[C:26](=[O:38])[N:25]([CH3:39])[C:24]3=[O:40])[cH:13][cH:14][cH:15]2)[CH2:5][CH2:6]1