HRID2143617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID564209

2-(Bromomethyl)pyridine

C6H6BrN

结构：N#Cc1ccc2[nH]c3c(c2c1)CC(N1C(=O)c2ccccc2C1=O)C3

HCID58149412

2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carbonitrile

C20H13N3O2

PRODUCTS

生成物

结构：N#Cc1ccc2c(c1)c1c(n2Cc2ccccn2)CC(N2C(=O)c3ccccc3C2=O)C1

HCID59242704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efac4256c7f245e7ac628c069b39c032
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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