HRID188189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID819440

5-Amino-2-fluoropyridine

C5H5FN2

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

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(Nc2ccc(F)nc2)nc(N2CCOCC2)n1

HCID58102806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b154f74733d42d0a4a418bf95063a93
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

[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH2:9]([Li:10])[CH2:11][CH2:12][CH3:13].[CH3:46][C:47](=[O:48])[OH:49].[Cl:14][c:15]1[n:16][c:17](-[n:27]2[c:28]([CH:38]([F:39])[F:40])[n:29][c:30]3[c:31]2[cH:32][cH:33][cH:34][c:35]3[O:36][CH3:37])[n:18][c:19]([N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[n:20]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([F:8])[n:6][cH:7]1.[OH2:50]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([F:8])[n:6][cH:7]1)[c:15]1[n:16][c:17](-[n:27]2[c:28]([CH:38]([F:39])[F:40])[n:29][c:30]3[c:31]2[cH:32][cH:33][cH:34][c:35]3[O:36][CH3:37])[n:18][c:19]([N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[n:20]1