HRID306492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

HCID11804811

4-cyano-1H-pyrrole-2-carboxylic Acid

C6H4N2O2

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(N)c(C3=CCCCC3)c2)CC1

HCID56834850

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(NC(=O)c3cc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1

HCID58694582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4424b95308a4f038d704bddb46a4920
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:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][CH2:28][CH:29]([c:32]2[cH:33][c:34]([C:39]3=[CH:40][CH2:41][CH2:42][CH2:43][CH2:44]3)[c:35]([NH2:38])[cH:36][cH:37]2)[CH2:30][CH2:31]1.[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:8](=[O:9])[OH:10])[nH:6][cH:7]1.[CH3:45][C:46]#[N:47].[Cl:11][C:12]([N:13]([CH3:14])[CH3:15])=[C:16]([CH3:17])[CH3:18]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:8](=[O:10])[NH:38][c:35]2[c:34]([C:39]3=[CH:40][CH2:41][CH2:42][CH2:43][CH2:44]3)[cH:33][c:32]([CH:29]3[CH2:28][CH2:27][N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:31][CH2:30]3)[cH:37][cH:36]2)[nH:6][cH:7]1