HRID668686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID11127725

未命名化合物

反应SMILES：COCCCn1ncc2ccc(CC(CBr)C(C)C)cc21

HCID68783220

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：CCOC1=NC(C(C)C)C(OCC)=NC1CC(Cc1ccc2cnn(CCCOC)c2c1)C(C)C

HCID178467418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-03616b33b0494642924c058398bd7d2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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