HRID160711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8056

1,4-Dibromobutane

C4H8Br2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=C(CSc1ccc(F)cc1)NOC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID86619939

未命名化合物

PRODUCTS

生成物

结构：O=C(CSc1ccc(F)cc1)N(CCCCBr)OC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID86619940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26bbf95b9eb242c2a54906c29d7af2d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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