HRID1545200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：O=C(O)CNC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1

HCID19700376

未命名化合物

结构：CC(C)(C)OC(=O)C1CC(C)(C(=O)OCc2ccccc2)C(c2ccccc2)N1

HCID140385890

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CC(C)(C(=O)OCc2ccccc2)C(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1

HCID140385880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aed85da5ffdf4a4eb2c9b4ba3471c597
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38](=[O:39])[c:40]1[cH:41][c:42]([NH:46][C:47]([NH:48][CH2:49][C:50](=[O:51])[OH:52])=[O:53])[cH:43][cH:44][cH:45]1.[CH3:1][C:2]1([C:20](=[O:21])[O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:3][CH:4]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[NH:5][CH:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH3:69][C:70]#[N:71].[CH:54]1([N:55]=[C:56]=[N:57][CH:58]2[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]2)[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1>>[CH3:1][C:2]1([C:20](=[O:21])[O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:3][CH:4]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[N:5]([C:50]([CH2:49][NH:48][C:47]([NH:46][c:42]2[cH:41][c:40]([C:38]([O:37][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)=[O:39])[cH:45][cH:44][cH:43]2)=[O:53])=[O:51])[CH:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1