HRID2151682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID70918

Sulfuryl chloride isocyanate

CClNO3S

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID59343883

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)=O

HCID11599637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1dda41687e748c5aa715a35368c0a5e
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

[Cl:39][S:40](=[O:41])(=[O:42])[N:43]=[C:44]=[O:45].[Cl:52][CH2:53][Cl:54].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH:7][CH2:8][c:9]2[c:10](-[c:19]3[c:20]([O:28][CH3:29])[cH:21][cH:22][c:23]([CH:25]([CH3:26])[CH3:27])[cH:24]3)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38].[Na+:51].[O-:47][C:48]([OH:49])=[O:50].[OH2:46]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[c:10](-[c:19]3[c:20]([O:28][CH3:29])[cH:21][cH:22][c:23]([CH:25]([CH3:26])[CH3:27])[cH:24]3)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[C:44]([NH2:43])=[O:45])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38]