HRID103773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID4192171

tert-butyl 3-aminopropanoate

C7H15NO2

结构：N#Cc1c(OCC(F)(F)F)nc(OCCCOc2ccccc2)nc1N1CCc2ccccc2CC1

HCID22003878

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCNc1nc(OCC(F)(F)F)c(C#N)c(N2CCc3ccccc3CC2)n1

HCID69945612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16acd8063d4548ebbd579ac831872429
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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