HRID820186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID269698

BOC-DL-Phenylalanine

C14H19NO4

结构：C#CCOc1nc(Nc2cc(N)cc(C(=O)OC)c2)ncc1Br

HCID57593287

未命名化合物

PRODUCTS

生成物

结构：C#CCOc1nc(Nc2cc(NC(=O)C(Cc3ccccc3)NC(=O)OC(C)(C)C)cc(C(=O)OC)c2)ncc1Br

HCID178458943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7eb9a79ffd3446f0b437183d26815bb5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[OH:19].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[NH2:20][c:21]1[cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][c:29]([NH:31][c:32]2[n:33][cH:34][c:35]([Br:42])[c:36]([O:38][CH2:39][C:40]#[CH:41])[n:37]2)[cH:30]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:19])[NH:20][c:21]1[cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][c:29]([NH:31][c:32]2[n:33][cH:34][c:35]([Br:42])[c:36]([O:38][CH2:39][C:40]#[CH:41])[n:37]2)[cH:30]1