HRID2152701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID71606

Cyclopentylacetic acid

C7H12O2

HCID11172762

4-[(tert-Butoxycarbonyl)(methyl)amino]benzoic acid

C13H17NO4

HCID18360289

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ncn(Cc3ccc(C(C)(C)C)cc3)c2C(N)=O)cc1

HCID18360270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b239a92c07574b73b822f578812ccf7b
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:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]([CH3:29])[c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38]1.[CH:39]1([CH2:40][C:41]([OH:42])=[O:43])[CH2:44][CH2:45][CH2:46][CH2:47]1.[NH2:1][c:2]1[n:3][cH:4][n:5]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:15][cH:16]2)[c:6]1[C:7](=[O:8])[NH2:9]>>[NH:1]([c:2]1[n:3][cH:4][n:5]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:15][cH:16]2)[c:6]1[C:7](=[O:8])[NH2:9])[C:34]([c:33]1[cH:32][cH:31][c:30]([N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH3:29])[cH:38][cH:37]1)=[O:35]