HRID665540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

HCID333428

未命名化合物

HCID2733250

3-(Trifluoromethyl)benzenesulfonyl chloride

C7H4ClF3O2S

PRODUCTS

生成物

结构：O=C(NC(CCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21

HCID178523318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a484007ecaf41edbf20b1f8ff7ee03b
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

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