HRID162310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

结构：Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(Cl)n(CC3CC3)c2n1

HCID59333498

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(N3CCC(N(C)C)C3)n(CC3CC3)c2n1

HCID59333673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0be6ab9f12464ed39fc54142ca69fd89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:29][N:30]([CH:31]1[CH2:32][NH:33][CH2:34][CH2:35]1)[CH3:36].[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[Cl:1][c:2]1[n:3]([CH2:25][CH:26]2[CH2:27][CH2:28]2)[c:4]2[n:5][c:6](-[c:17]3[c:18]([CH3:24])[n:19][c:20]([NH2:23])[n:21][cH:22]3)[n:7][c:8]([N:11]3[CH2:12][CH2:13][O:14][CH2:15][CH2:16]3)[c:9]2[n:10]1>>[c:2]1([N:33]2[CH2:32][CH:31]([N:30]([CH3:29])[CH3:36])[CH2:35][CH2:34]2)[n:3]([CH2:25][CH:26]2[CH2:27][CH2:28]2)[c:4]2[n:5][c:6](-[c:17]3[c:18]([CH3:24])[n:19][c:20]([NH2:23])[n:21][cH:22]3)[n:7][c:8]([N:11]3[CH2:12][CH2:13][O:14][CH2:15][CH2:16]3)[c:9]2[n:10]1