HRID1130809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID2755929

3-{[(tert-Butoxycarbonyl)amino]methyl}benzoic acid

C13H17NO4

结构：CN(CCc1ccccc1OCCO)C(=O)C(N)Cc1ccc2ccccc2c1

HCID178483195

未命名化合物

PRODUCTS

生成物

结构：CN(CCc1ccccc1OCCO)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1

HCID178483192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-334ad0d14d5742df923c052e0540319e
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][cH:18]1.[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl:53][CH2:54][Cl:55].[NH2:19][CH:20]([C:21](=[O:22])[N:23]([CH3:24])[CH2:25][CH2:26][c:27]1[c:28]([O:33][CH2:34][CH2:35][OH:36])[cH:29][cH:30][cH:31][cH:32]1)[CH2:37][c:38]1[cH:39][c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[cH:46][cH:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([C:13](=[O:15])[NH:19][CH:20]([C:21](=[O:22])[N:23]([CH3:24])[CH2:25][CH2:26][c:27]2[c:28]([O:33][CH2:34][CH2:35][OH:36])[cH:29][cH:30][cH:31][cH:32]2)[CH2:37][c:38]2[cH:39][c:40]3[cH:41][cH:42][cH:43][cH:44][c:45]3[cH:46][cH:47]2)[cH:16][cH:17][cH:18]1