HRID192780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID28660

Carbonocyanidic acid, methyl ester

C3H3NO2

结构：c1ccc(C2(N3CCC(n4cnc5ccccc54)CC3)CCCCCC2)cc1

HCID22562197

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COC(=O)c1nc2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCC2)CC1

HCID10181181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e88f6bccaf6e40ffba935533bcffd575
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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