HRID2147935

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

HCID6395

Methanesulfonic acid

CH4O3S

HCID81531

Diisopropylethylamine

C8H19N

HCID9855789

未命名化合物

HCID18357434

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(Br)c1CNc1cc(C(N)=O)cn2c(C)c(C)nc12

HCID9865017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a9a5a752c4a4761877dcc762d4b4fb2
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:21][c:22]1[c:23]([CH2:24][Cl:25])[c:26]([CH3:30])[cH:27][cH:28][cH:29]1.[CH2:46]([Cl:47])[Cl:48].[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[NH2:6][c:7]1[c:8]2[n:9]([cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2.[OH2:45]>>[NH:6]([c:7]1[c:8]2[n:9]([cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2)[CH2:24][c:23]1[c:22]([Br:21])[cH:29][cH:28][cH:27][c:26]1[CH3:30]