HRID1125285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1118

Sulfuric acid

H2O4S

HCID10908

tert-Butyl acetate

C6H12O2

HCID75046

Benzoic acid, 3-isothiocyanato-

C8H5NO2S

HCID93658

1,1-Dimethoxypropan-2-amine

C5H13NO2

HCID3028194

Lithium

HCID22224935

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)cn1

HCID69592777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bff76831bba042fcb3a8209aa4cbda3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:37]([CH3:38])(=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44].[CH3:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[cH:8][c:9]([C:10]([O:12][CH3:11])=[O:13])[cH:14][cH:15][cH:16]2)[cH:6]1.[CH3:29][O:30][CH:31]([O:32][CH3:33])[CH:34]([NH2:35])[CH3:36].[CH3:51][OH:52].[Li:45].[N:17]([c:18]1[cH:19][c:20]([C:24]([OH:25])=[O:26])[cH:21][cH:22][cH:23]1)=[C:27]=[S:28].[S:46](=[O:47])(=[O:48])([OH:49])[OH:50]>>[CH3:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[cH:8][c:9]([C:10](=[O:12])[CH2:38][C:37](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[cH:14][cH:15][cH:16]2)[cH:6]1