HRID2135296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID68176

Thionyl bromide

Br2OS

HCID104967

Cesium(1+)

Cs+

2 次

HCID54472733

未命名化合物

结构：O=C(CC(c1ccc(O)cc1)c1ccon1)N1C(=O)OCC1Cc1ccccc1

HCID67330040

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(c1ccc(OCc2ccc(Br)c(OC(F)(F)F)c2)cc1)c1ccon1)N1C(=O)OCC1Cc1ccccc1

HCID67330869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bef67d5b7b64ec6a3be172060c4bf10
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:1][c:2]1[c:3]([O:10][C:11]([F:12])([F:13])[F:14])[cH:4][c:5]([CH2:8][OH:9])[cH:6][cH:7]1.[C:48](=[O:49])([O-:50])[O-:51].[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH:26]1[N:27]([C:32]([CH2:33][CH:34]([c:35]2[n:36][o:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][c:43]([OH:46])[cH:44][cH:45]2)=[O:47])[C:28](=[O:31])[O:29][CH2:30]1.[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[Cl:54][CH2:55][Cl:56].[Cs+:52].[Cs+:53].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[S:15]([Br:16])([Br:17])=[O:18]>>[Br:1][c:2]1[c:3]([O:10][C:11]([F:12])([F:13])[F:14])[cH:4][c:5]([CH2:8][O:9][c:43]2[cH:42][cH:41][c:40]([CH:34]([CH2:33][C:32]([N:27]3[CH:26]([CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:30][O:29][C:28]3=[O:31])=[O:47])[c:35]3[n:36][o:37][cH:38][cH:39]3)[cH:45][cH:44]2)[cH:6][cH:7]1