HRID671060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6561

2-Methylpropanal

C4H8O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID2724942

未命名化合物

HCID10375112

(2,4-Dichloro-1,3-thiazol-5-yl)methanol

C4H3Cl2NOS

结构：CC(C)(C)OC(=O)N1CCC(NCc2sc(Cl)nc2Cl)CC1

HCID68574781

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(Cc1sc(Cl)nc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1

HCID68576492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-410e1252bc9d448bbc58a08620d8e870
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][CH2:15][c:16]2[c:17]([Cl:22])[n:18][c:19]([Cl:21])[s:20]2)[CH2:12][CH2:13]1.[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[C:55]([O:56][CH3:57])([CH3:58])([CH3:59])[CH3:60].[CH3:23][C:24](=[O:25])[OH:26].[CH:27]([CH:28]([CH3:29])[CH3:30])=[O:31].[Cl:46][c:47]1[s:48][c:49]([CH2:50][OH:51])[c:52]([Cl:53])[n:54]1.[Na+:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]([CH2:15][c:16]2[c:17]([Cl:22])[n:18][c:19]([Cl:21])[s:20]2)[CH2:27][CH:28]([CH3:29])[CH3:30])[CH2:12][CH2:13]1