HRID1535824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

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

HCID43652169

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N(CCCO)c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1

HCID67543796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0c0379ed53341abadbbde1836637b90
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

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