HRID282146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6386

tert-Butyl alcohol

C4H10O

HCID166653

Hydride

H-

HCID5360545

Sodium

HCID18510459

4-(4-Chlorophenoxy)benzene-1-thiol

C12H9ClOS

HCID21224266

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CSc2ccc(Oc3ccc(Cl)cc3)cc2)(C(=O)O)CC1

HCID21224331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4defef99a55f4a8e82ba9620ddd6da90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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