HRID1142415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID42828

1-Naphthalenecarbonitrile, 4-amino-

C11H8N2

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：CC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C(C)(C)C)C1C(=O)O

HCID23594036

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C(C)(C)C)C1C(=O)Nc1ccc(C#N)c2ccccc12

HCID23594062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95fc722dc6184b00bc6c5f5d5dac5138
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:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH:17]([C:29](=[O:30])[OH:31])[CH:18]([O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:19][CH2:20]1.[CH2:1]([O:2][C:3]([Cl:4])=[O:5])[CH:6]([CH3:7])[CH3:8].[CH3:32][N:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[NH2:39][c:40]1[cH:41][cH:42][c:43]([C:50]#[N:51])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]12>>[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH:17]([C:29](=[O:31])[NH:39][c:40]2[cH:41][cH:42][c:43]([C:50]#[N:51])[c:44]3[cH:45][cH:46][cH:47][cH:48][c:49]23)[CH:18]([O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:19][CH2:20]1