HRID106910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID22390154

未命名化合物

HCID77201112

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(NNC(=O)C(CC2CCCC2)CN(C=O)OCc2ccccc2)c(F)c(N2CCN(C)C(C)C2)n1

HCID178433387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b8f9b509132407095994a5925762a3b
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

[CH2:51]([Cl:52])[CH2:53][Cl:54].[CH3:23][CH:24]1[CH2:25][N:26]([c:31]2[n:32][c:33]([CH3:40])[n:34][c:35]([NH:38][NH2:39])[c:36]2[F:37])[CH2:27][CH2:28][N:29]1[CH3:30].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][N:12]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH:21]=[O:22])[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:41][n:42]1[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:39][NH:38][c:35]2[n:34][c:33]([CH3:40])[n:32][c:31]([N:26]3[CH2:25][CH:24]([CH3:23])[N:29]([CH3:30])[CH2:28][CH2:27]3)[c:36]2[F:37])[CH2:11][N:12]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH:21]=[O:22])[CH2:2][CH2:3][CH2:4][CH2:5]1