HRID204454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12

HCID59700180

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(N=C=O)c(C(=O)N(C)C)c3)cc12

HCID59700258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0910f50d67424addb09dfb780d2861a2
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

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