HRID663160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID3268011

tert-Butyl (2-aminocyclohexyl)carbamate

C11H22N2O2

结构：COc1ccc(CN2Cc3c(F)c(Cl)nc(Cl)c3C2=O)c(OC)c1

HCID58317575

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2Cc3c(F)c(NC4CCCCC4NC(=O)OC(C)(C)C)nc(Cl)c3C2=O)c(OC)c1

HCID87320428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bec0e49cd73d4246a16e38a8a953d980
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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