HRID1237912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10376046

3-[(tert-Butoxycarbonyl)amino]-3-methylbutanoic acid

C10H19NO4

HCID18968908

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CC(=O)NC1CCc2c(ccc3ccccc23)NC1=O)NC(=O)OC(C)(C)C

HCID53757316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8dfec1003b9472b80381b15e5609156
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][C:11](=[O:12])[OH:13])([CH3:14])[CH3:15].[CH3:26][CH2:27][N:28]=[C:29]=[N:30][CH2:31][CH2:32][CH2:33][N:34]([CH3:35])[CH3:36].[CH3:59][CH2:60][O:61][CH2:62][CH3:63].[NH2:37][CH:38]1[CH2:39][CH2:40][c:41]2[c:42]([cH:46][cH:47][c:48]3[cH:49][cH:50][cH:51][cH:52][c:53]23)[NH:43][C:44]1=[O:45].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:64].[OH:16][n:17]1[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[n:24][n:25]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][C:11](=[O:13])[NH:37][CH:38]1[CH2:39][CH2:40][c:41]2[c:42]([cH:46][cH:47][c:48]3[cH:49][cH:50][cH:51][cH:52][c:53]23)[NH:43][C:44]1=[O:45])([CH3:14])[CH3:15]