HRID318908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID13317019

2-Chloro-5-(trifluoromethyl)pyrimidine

C5H2ClF3N2

结构：CC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3cc[nH]n3)cc2)C1

HCID178452444

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3ccn(-c4ncc(C(F)(F)F)cn4)n3)cc2)C1

HCID178452442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-984a7c5f6a87407b93a3a4442d37ec11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:39](=[O:40])([O-:41])[O-:42].[CH3:46][S:47]([CH3:48])=[O:49].[Cl:28][c:29]1[n:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][n:34]1.[K+:43].[K+:44].[OH2:45].[nH:1]1[n:2][c:3]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([CH:15]3[O:16][CH2:17][CH2:18][N:19]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:20]3)[cH:13][cH:14]2)[cH:4][cH:5]1>>[n:1]1(-[c:29]2[n:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][n:34]2)[n:2][c:3]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([CH:15]3[O:16][CH2:17][CH2:18][N:19]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:20]3)[cH:13][cH:14]2)[cH:4][cH:5]1