HRID1538895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2cc(Oc3cc(CO)ncn3)ccc21

HCID59596347

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)OCc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2cccc(C(F)(F)F)c2)ncn1

HCID59394751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a96153075ceb4631a041da3587535233
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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