HRID682128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24427

1-Chloroprop-1-yne

C3H3Cl

结构：CC(C)S(=O)(=O)NCC(C)(F)c1ccc(-c2cccc(N)c2)cc1

HCID9863239

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)Nc1cccc(-c2ccc(C(C)(F)CNS(=O)(=O)C(C)C)cc2)c1

HCID22176572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df68f53f9f7440bdb9d6395d45c62c34
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

[C:1](#[C:2][CH3:3])[Cl:4].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[NH2:5][c:6]1[cH:7][c:8](-[c:12]2[cH:13][cH:14][c:15]([C:18]([CH2:19][NH:20][S:21](=[O:22])(=[O:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[F:28])[cH:16][cH:17]2)[cH:9][cH:10][cH:11]1.[OH2:36]>>[C:1]([CH2:2][CH3:3])([NH:5][c:6]1[cH:7][c:8](-[c:12]2[cH:13][cH:14][c:15]([C:18]([CH2:19][NH:20][S:21](=[O:22])(=[O:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[F:28])[cH:16][cH:17]2)[cH:9][cH:10][cH:11]1)=[O:36]