HRID1538109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID18502

Isocyanatocyclohexane

C7H11NO

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

反应SMILES：NCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O

HCID21988569

未命名化合物

PRODUCTS

产物

反应SMILES：O=C1CCC(N2Cc3c(CNC(=O)NC4CCCCC4)cccc3C2=O)C(=O)N1

HCID16116955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b5e413625dc048b7b90a11918c1bcf03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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