HRID304457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID11309887

4-chloro-benzo[e][1,3]oxazin-2-one

C8H4ClNO2

结构：CCCN1CCC(C#N)(NC(=O)C(N)CCC(C)(C)CC)CC1

HCID59654225

未命名化合物

PRODUCTS

生成物

结构：CCCN1CCC(C#N)(NC(=O)C(CCC(C)(C)CC)Nc2nc(=O)oc3ccccc23)CC1

HCID10050252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2dbbcf9d69bd4dbf873895a0806bcce0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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