HRID1562163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID344373

5-Aminopyrimidine

C4H5N3

HCID3280088

未命名化合物

结构：FC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1

HCID22036872

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

C15H13ClF2N6O

PRODUCTS

生成物

结构：FC(F)c1nc2ccccc2n1-c1nc(Nc2cncnc2)nc(N2CCOCC2)n1

HCID49869354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3aad34588b1448108de1da8560ad2bb3
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

[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:43][C:44](=[O:45])[OH:46].[CH3:9][Si:10]([N-:11][Si:12]([CH3:13])([CH3:14])[CH3:15])([CH3:16])[CH3:17].[Cl:18][c:19]1[n:20][c:21](-[n:31]2[c:32]([CH:40]([F:41])[F:42])[n:33][c:34]3[c:35]2[cH:36][cH:37][cH:38][cH:39]3)[n:22][c:23]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[n:24]1.[NH2:1][c:2]1[cH:3][n:4][cH:5][n:6][cH:7]1.[Na+:8].[OH2:52]>>[NH:1]([c:2]1[cH:3][n:4][cH:5][n:6][cH:7]1)[c:19]1[n:20][c:21](-[n:31]2[c:32]([CH:40]([F:41])[F:42])[n:33][c:34]3[c:35]2[cH:36][cH:37][cH:38][cH:39]3)[n:22][c:23]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[n:24]1