HRID2329958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7522

2-Pyridinecarbonitrile

C6H4N2

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID58591558

未命名化合物

HCID178418400

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccn1)c1c(CCOCc2ccccc2)sc2ccccc12

HCID58591577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1340d0dff8154cc9a44b6e72af633937
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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