HRID101878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7464

Cumidine

C9H13N

HCID7972

4-Methylmorpholine

C5H11NO

HCID18450

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

C5H6ClN3O2

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

PRODUCTS

生成物

结构：CC(C)c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID29205229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0510f4e9eb1c4a7cb109805fac1352b3
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[OH:16])[CH2:12][CH2:13]1.[CH3:28][N:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[CH3:45][C:46]#[N:47].[CH:35]([CH3:36])([CH3:37])[c:38]1[cH:39][cH:40][c:41]([NH2:44])[cH:42][cH:43]1.[Cl:17][c:18]1[n:19][c:20]([O:21][CH3:22])[n:23][c:24]([O:25][CH3:26])[n:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:16])[NH:44][c:41]2[cH:40][cH:39][c:38]([CH:35]([CH3:36])[CH3:37])[cH:43][cH:42]2)[CH2:12][CH2:13]1