HRID1153652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID49760350

1'H-Spiro[piperidine-4,4'-quinazolin]-2'(3'H)-one

C12H15N3O

结构：Cc1cc(C(=O)c2cc(Cl)ncn2)cc2oc(=O)n(C)c12

HCID58181162

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)c2cc(N3CCC4(CC3)NC(=O)Nc3ccccc34)ncn2)cc2oc(=O)n(C)c12

HCID25265297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c738cd418b1f486dadbde15c53bd62bf
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

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