HRID301044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79334

3-tert-Butylaniline

C10H15N

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)O)cc2)CC1

HCID22492859

4-[1-(tert-Butoxycarbonyl)piperidin-4-yl]benzoic acid

C17H23NO4

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cc2)CC1

HCID59318017

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cc2)CC1

HCID59318012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ca1562ef7934a09bbf5782c8e26b2b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[OH:22])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[c:27]1[cH:28][c:29]([NH2:30])[cH:31][cH:32][cH:33]1.[C:34]([O:35][C:36]([N:37]1[CH2:38][CH2:39][N:40]([c:41]2[cH:42][cH:43][c:44]([C:45](=[O:46])[NH:47][c:48]3[cH:49][cH:50][cH:51][c:52]([C:53]([CH3:54])([CH3:55])[CH3:56])[cH:57]3)[cH:58][cH:59]2)[CH2:60][CH2:61]1)=[O:62])([CH3:63])([CH3:64])[CH3:65]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][cH:16][c:17]([C:20](=[O:22])[NH:30][c:29]3[cH:28][c:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:33][cH:32][cH:31]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1