HRID2122343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID69309865

未命名化合物

HCID178495883

未命名化合物

PRODUCTS

生成物

结构：COCC(NC(=O)c1ccc(C(=O)N2CC=CC2)c(Br)c1)c1nc2cc(Cl)ccc2[nH]1

HCID178495992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74fd0c303e2942bc8f6c36b07b94e483
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

[B-:18]([F:19])([F:20])([F:21])[F:22].[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH:15]=[CH:16][CH2:17]1.[Br:63].[CH3:40][N:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:69][OH:70].[Cl:47][c:48]1[cH:49][c:50]2[c:51]([nH:52][c:53]([CH:55]([CH2:56][O:57][CH3:58])[NH2:59])[n:54]2)[cH:60][cH:61]1.[Cl:62].[Cl:71][CH2:72][Cl:73].[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:59][CH:55]([c:53]2[nH:52][c:51]3[c:50]([cH:49][c:48]([Cl:47])[cH:61][cH:60]3)[n:54]2)[CH2:56][O:57][CH3:58])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH:15]=[CH:16][CH2:17]1