HRID293703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID5200343

3-AMINO-4-METHOXYPYRIDINE

C6H8N2O

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：COc1ccncc1Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3c(OC)cccc32)n1

HCID58102781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaa75e9b98cf4870810404878ab9426f
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

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