HRID1218051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID2757234

未命名化合物

HCID21979116

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(c2nc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C1

HCID69074341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd9329ef91114556bf0f660bcbdacf6a
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:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24]([NH:25][CH:26]1[CH2:27][NH:28][CH2:29][CH2:30]1)=[O:31].[CH3:41][C:42]#[N:43].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[NH2:1][n:2]1[c:3](=[O:18])[n:4]([CH:15]2[CH2:16][CH2:17]2)[c:5]2[c:6]([c:7]1=[O:8])[cH:9][c:10]([F:14])[c:11]([Cl:13])[n:12]2.[OH2:44]>>[NH2:1][n:2]1[c:3](=[O:18])[n:4]([CH:15]2[CH2:16][CH2:17]2)[c:5]2[c:6]([c:7]1=[O:8])[cH:9][c:10]([F:14])[c:11]([N:28]1[CH2:27][CH:26]([NH:25][C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:31])[CH2:30][CH2:29]1)[n:12]2