HRID671094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

结构：Nc1c(C(=O)NCC(O)(CO)C(F)(F)F)cnn1-c1ccc(F)cc1

HCID59187226

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCC(O)(CNC(=O)c2cnn(-c3ccc(F)cc3)c2N)C(F)(F)F)cc1

HCID59187240

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e61f08409484e99bb883eb5e1802d16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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