HRID185007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID84810

4-Morpholinecarbonyl chloride

C5H8ClNO2

结构：Fc1cc2c(cc1Br)OC(c1ccccc1)(c1ccccc1)O2

HCID21865386

5-Bromo-6-fluoro-2,2-diphenyl-2H-1,3-benzodioxole

C19H12BrFO2

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1

HCID10024236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bd87b7a8f5c41dba5596c1704762c81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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