HRID2136685

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

HCID7917

Isopropyl chloroformate

C4H7ClO2

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(NC(=O)OC(C)C)c(C(=O)N(C)C)c3)cc12

HCID57731657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76e560e22b8c44728c36e99320f5e830
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

[C:41](=[O:42])([OH:43])[O-:44].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl:46][C:47](=[O:48])[O:49][CH:50]([CH3:51])[CH3:52].[Cl:53][CH2:54][Cl:55].[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+:45]>>[NH: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:47](=[O:48])[O:49][CH:50]([CH3:51])[CH3:52]