HRID1204227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：CCNc1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1

HCID67517847

未命名化合物

PRODUCTS

生成物

结构：CCN(C(C)=O)c1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1

HCID56963171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92c71866eb664b1f965d2b28b3a289e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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