HRID1567203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID18450

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

C5H6ClN3O2

HCID300977

N-(2-Methoxyethyl)methylamine

C4H11NO

结构：O=C(O)c1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

HCID67339104

未命名化合物

PRODUCTS

生成物

结构：COCCN(C)C(=O)c1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

HCID44125833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00a6fd19155540c680559cde1a0aa8d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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