HRID109837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID18450

2-Chloro-4,6-dimethoxy-1,3,5-triazine

C5H6ClN3O2

HCID2736942

1-[(1-methylpiperidin-4-yl)methyl]piperazine

C11H23N3

结构：CCc1nn(-c2cccc(C=Cc3ccc(Cl)cc3)c2)c(CC)c1C(=O)O

HCID67313978

未命名化合物

PRODUCTS

生成物

结构：CCc1nn(-c2cccc(C=Cc3ccc(Cl)cc3)c2)c(CC)c1C(=O)N1CCN(CC2CCN(C)CC2)CC1

HCID67314891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e25ac8aac364764bcf9d2a617d33d42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:39][N:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[CH3:46][N:47]1[CH2:48][CH2:49][CH:50]([CH2:53][N:54]2[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]2)[CH2:51][CH2:52]1.[CH3:60][C:61]#[N:62].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][c:10]2[cH:11][c:12](-[n:16]3[n:17][c:18]([CH2:26][CH3:27])[c:19]([C:23](=[O:24])[OH:25])[c:20]3[CH2:21][CH3:22])[cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[Cl:28][c:29]1[n:30][c:31]([O:32][CH3:33])[n:34][c:35]([O:36][CH3:37])[n:38]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][c:10]2[cH:11][c:12](-[n:16]3[n:17][c:18]([CH2:26][CH3:27])[c:19]([C:23](=[O:24])[N:57]4[CH2:56][CH2:55][N:54]([CH2:53][CH:50]5[CH2:49][CH2:48][N:47]([CH3:46])[CH2:52][CH2:51]5)[CH2:59][CH2:58]4)[c:20]3[CH2:21][CH3:22])[cH:13][cH:14][cH:15]2)[cH:6][cH:7]1