HRID666674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1146

Trimethylamine

C3H9N

HCID2781701

3-(4-tert-Butylphenyl)-5-(chloromethyl)-1,2,4-oxadiazole

C13H15ClN2O

HCID21911691

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cc(OCC(O)CN3CCN(Cc4nc(-c5ccc(C(C)(C)C)cc5)no4)CC3)ccc2s1

HCID10186391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51e1a9ab96c949848163b21fa0a6b7a0
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:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[cH:27][cH:28][c:29](-[c:32]2[n:33][o:34][c:35]([CH2:37][Cl:38])[n:36]2)[cH:30][cH:31]1.[CH2:39]([OH:40])[CH3:41].[CH3:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([O:11][CH2:12][CH:13]([CH2:14][N:15]1[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1)[OH:21])[cH:9][cH:10]2.[CH3:42][N:43]([CH3:44])[CH3:45]>>[CH3:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([O:11][CH2:12][CH:13]([CH2:14][N:15]1[CH2:16][CH2:17][N:18]([CH2:37][c:35]3[o:34][n:33][c:32](-[c:29]4[cH:28][cH:27][c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:31][cH:30]4)[n:36]3)[CH2:19][CH2:20]1)[OH:21])[cH:9][cH:10]2