HRID2130162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6386

tert-Butyl alcohol

C4H10O

HCID520101

4-Chloro-2-hydroxybenzaldehyde

C7H5ClO2

HCID4574913

未命名化合物

结构：C=CS(=O)(=O)N1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)C1

HCID23447450

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CN2CCN(S(=O)(=O)C3=Cc4ccc(Cl)cc4OC3)CC2=O)CC1

HCID23447347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-451bbfec22184f389c957b1f6776f446
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]2[C:16](=[O:26])[CH2:17][N:18]([S:21](=[O:22])(=[O:23])[CH:24]=[CH2:25])[CH2:19][CH2:20]2)[CH2:12][CH2:13]1.[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH3:43][C:44]([OH:45])([CH3:46])[CH3:47].[Cl:27][c:28]1[cH:29][c:30]([OH:36])[c:31]([CH:32]=[O:33])[cH:34][cH:35]1.[K+:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]2[C:16](=[O:26])[CH2:17][N:18]([S:21](=[O:22])(=[O:23])[C:24]3=[CH:32][c:31]4[c:30]([cH:29][c:28]([Cl:27])[cH:35][cH:34]4)[O:36][CH2:25]3)[CH2:19][CH2:20]2)[CH2:12][CH2:13]1