HRID692764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2777399

4-(Trifluoromethyl)benzenesulfonyl chloride

C7H4ClF3O2S

结构：CC(C)(C)OC(=O)C(N)Cc1ccc(OCCCC(=O)O)cc1

HCID18324753

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(Cc1ccc(OCCCC(=O)O)cc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID18324760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b148f231a87a4bb8ae67c50990034eef
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

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