HRID1128583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID61277

Propane, 2-isocyanato-

C4H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CNC(=O)c1cc(Oc2ccc3nc(NC4CCCNC4)sc3c2)ccn1

HCID87421364

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(Oc2ccc3nc(NC4CCCN(C(=O)NC(C)C)C4)sc3c2)ccn1

HCID87421278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cc9ff014492408f84b87cdf8b4122b2
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

[CH3:1][NH:2][C:3]([c:4]1[cH:5][c:6]([O:10][c:11]2[cH:12][c:13]3[c:14]([n:15][c:16]([NH:18][CH:19]4[CH2:20][NH:21][CH2:22][CH2:23][CH2:24]4)[s:17]3)[cH:25][cH:26]2)[cH:7][cH:8][n:9]1)=[O:27].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[N:37](=[C:38]=[O:39])[CH:40]([CH3:41])[CH3:42]>>[CH3:1][NH:2][C:3]([c:4]1[cH:5][c:6]([O:10][c:11]2[cH:12][c:13]3[c:14]([n:15][c:16]([NH:18][CH:19]4[CH2:20][N:21]([C:38]([NH:37][CH:40]([CH3:41])[CH3:42])=[O:39])[CH2:22][CH2:23][CH2:24]4)[s:17]3)[cH:25][cH:26]2)[cH:7][cH:8][n:9]1)=[O:27]