HRID310659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7855

Acrylonitrile

C3H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID22009216

未命名化合物

HCID178418400

CID 53628100

C4H9Li

PRODUCTS

产物

HCID9809999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f1e13ffc5dec4a0dae3937c9133a0ca8
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

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