HRID213620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID10423982

未命名化合物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(Cl)nc(N2CCOCC2)n1

HCID53488102

1-[4-Chloro-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-4-methoxy-1H-benzimidazole

C16H15ClF2N6O2

PRODUCTS

生成物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nc(N2CCOCC2)n1

HCID46917651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acb96d42061c45428148d82ce5475875
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:28][N:29]1[CH2:30][CH2:31][N:32]([S:35](=[O:36])(=[O:37])[c:38]2[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]2)[CH2:33][CH2:34]1.[Cl:1][c:2]1[n:3][c:4](-[n:14]2[c:15]([CH:25]([F:26])[F:27])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][c:22]3[O:23][CH3:24])[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[K+:47].[K+:48].[O-:49][C:50]([O-:51])=[O:52].[OH2:59]>>[c:2]1(-[c:41]2[cH:40][cH:39][c:38]([S:35]([N:32]3[CH2:31][CH2:30][N:29]([CH3:28])[CH2:34][CH2:33]3)(=[O:36])=[O:37])[cH:43][cH:42]2)[n:3][c:4](-[n:14]2[c:15]([CH:25]([F:26])[F:27])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][c:22]3[O:23][CH3:24])[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1