HRID1558097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2857447

未命名化合物

HCID65248306

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(CCOc1ccc(Cl)cc1Cl)C(=O)NC1C2CC3CC1CC(O)(C3)C2

HCID25145196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-87f5c02af3fe48d28e6ffc9b7fa8354f
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

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