HRID95815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID43652169

未命名化合物

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

PRODUCTS

生成物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N(CCCO)C2CCN(C(=O)OC(C)(C)C)CC2)n1

HCID66698065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4787d339a60d44938c3b46d0c1f2aeb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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