HRID1114175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID16054

5-Hydroxyindole

C8H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID22646519

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc2c(Oc3ccc4[nH]ccc4c3)ccnc2cc1OCc1ccccc1

HCID22936481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77eff8df17c54712a44cc77a989ff291
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

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