HRID1148832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID688396

1-[(tert-Butoxycarbonyl)amino]cyclopropane-1-carboxylic acid

C9H15NO4

结构：Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCC3N)no1

HCID77464833

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCC3NC(=O)C2(NC(=O)OC(C)(C)C)CC2)no1

HCID68296742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4788043e77ce4b5b81f0faddab31a23e
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:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][C:33]1([C:36](=[O:37])[OH:38])[CH2:34][CH2:35]1.[Cl:1][c:2]1[cH:3][c:4]([F:24])[c:5](-[c:18]2[n:19][o:20][c:21]([CH3:23])[n:22]2)[c:6](-[c:8]2[cH:9][c:10]3[c:14]([cH:15][cH:16]2)[CH:13]([NH2:17])[CH2:12][CH2:11]3)[cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([F:24])[c:5](-[c:18]2[n:19][o:20][c:21]([CH3:23])[n:22]2)[c:6](-[c:8]2[cH:9][c:10]3[c:14]([cH:15][cH:16]2)[CH:13]([NH:17][C:36]([C:33]2([NH:32][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:34][CH2:35]2)=[O:37])[CH2:12][CH2:11]3)[cH:7]1