HRID1135229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID18450

2-Chloro-4,6-dimethoxy-1,3,5-triazine

C5H6ClN3O2

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

HCID21935714

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cccc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1

HCID68457899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fed5d06c13e74a5cb94e21f1bbbd1c01
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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