HRID310136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID7498

alpha-Bromotoluene

C7H7Br

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：CC1CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1

HCID13752557

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC1(Cc2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1

HCID19852732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f83a910d85a24c40a9c73bdd06bac269
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH3:55][C:56](=[O:57])[OH:58].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl:13][c:14]1[cH:15][cH:16][c:17]([NH:20][C:21](=[O:22])[N:23]2[N:24]=[C:25]([c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[CH:26]([CH3:28])[CH2:27]2)[cH:18][cH:19]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[Cl:13][c:14]1[cH:15][cH:16][c:17]([NH:20][C:21](=[O:22])[N:23]2[N:24]=[C:25]([c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[C:26]([CH3:28])([CH2:37][c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[CH2:27]2)[cH:18][cH:19]1