HRID826703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID22132384

Azetidine-3-carbonitrile

C4H6N2

结构：Cc1ccc(-c2noc(CO)n2)cc1NC(=O)c1cnc2ccc(Br)cn12

HCID71280691

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2noc(CN3CC(C#N)C3)n2)cc1NC(=O)c1cnc2ccc(Br)cn12

HCID71280791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fa787dec82e44998b8544dcdc90c9f8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[c:8]([C:11](=[O:12])[NH:13][c:14]1[c:15]([CH3:27])[cH:16][cH:17][c:18](-[c:20]3[n:21][o:22][c:23]([CH2:25][OH:26])[n:24]3)[cH:19]1)[cH:9][n:10]2.[CH3:37][S:38](=[O:39])(=[O:40])[Cl:41].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:48][CH2:49][Cl:50].[NH:42]1[CH2:43][CH:44]([C:46]#[N:47])[CH2:45]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:56]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[c:8]([C:11](=[O:12])[NH:13][c:14]1[c:15]([CH3:27])[cH:16][cH:17][c:18](-[c:20]3[n:21][o:22][c:23]([CH2:25][N:42]4[CH2:43][CH:44]([C:46]#[N:47])[CH2:45]4)[n:24]3)[cH:19]1)[cH:9][n:10]2