HRID200859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID4416939

1-Boc-3-hydroxypyrrolidine

C9H17NO3

结构：CS(=O)(=O)c1ccc(-n2ncc3c(Cl)ncnc32)c(F)c1

HCID21897661

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)C1

HCID53630416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fe5ce0a8b20462a831d3eab7ea3004d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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