HRID320249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID78703

4-(1-Pyrrolidinyl)piperidine

C9H18N2

结构：CNC(=O)n1ccc2cc(Oc3cc(N)ncc3C#N)ccc21

HCID21949164

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)n1ccc2cc(Oc3cc(NC(=O)N4CCC(N5CCCC5)CC4)ncc3C#N)ccc21

HCID21949191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f9d03c4ca634f99b27215239931d546
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

[CH3:1][NH:2][C:3](=[O:4])[n:5]1[cH:6][cH:7][c:8]2[cH:9][c:10]([O:14][c:15]3[cH:16][c:17]([NH2:23])[n:18][cH:19][c:20]3[C:21]#[N:22])[cH:11][cH:12][c:13]12.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[Cl:31][C:32](=[O:33])[O:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[N:41]1([CH:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[CH2:42][CH2:43][CH2:44][CH2:45]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:62]>>[CH3:1][NH:2][C:3](=[O:4])[n:5]1[cH:6][cH:7][c:8]2[cH:9][c:10]([O:14][c:15]3[cH:16][c:17]([NH:23][C:32](=[O:33])[N:49]4[CH2:48][CH2:47][CH:46]([N:41]5[CH2:42][CH2:43][CH2:44][CH2:45]5)[CH2:51][CH2:50]4)[n:18][cH:19][c:20]3[C:21]#[N:22])[cH:11][cH:12][c:13]12