HRID141774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(F)c(N)c(C(=O)N(C)C)c3)cc12

HCID57731478

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(F)c(N=C=O)c(C(=O)N(C)C)c3)cc12

HCID57731460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaf7a187991f4117b3b69c770f7e3ce3
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

[C:44]([O-:45])(=[O:46])[OH:47].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl:41][CH2:42][Cl:43].[Cl:49][C:50](=[O:51])[Cl:52].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[N:6]([CH3:7])[CH3:8])[cH:9][c:10](-[c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19]2)[n:20]([S:31](=[O:32])(=[O:33])[c:34]2[cH:35][cH:36][c:37]([CH3:40])[cH:38][cH:39]2)[cH:21][c:22]3-[c:23]2[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]2)[cH:11][c:12]1[F:13].[Na+:48]>>[N:1]([c:2]1[c:3]([C:4](=[O:5])[N:6]([CH3:7])[CH3:8])[cH:9][c:10](-[c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19]2)[n:20]([S:31](=[O:32])(=[O:33])[c:34]2[cH:35][cH:36][c:37]([CH3:40])[cH:38][cH:39]2)[cH:21][c:22]3-[c:23]2[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]2)[cH:11][c:12]1[F:13])=[C:44]=[O:45]