HRID1545484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID344373

5-Aminopyrimidine

C4H5N3

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(Nc2cncnc2)nc(N2CCOCC2)n1

HCID49869918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6a128fcffed4e90b662bcb9efbc25b2
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

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