HRID1560760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7507

Cyclohexanemethanol

C7H14O

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1ccc(Oc2c(C)cc(-n3nc(C(=O)O)c(=O)[nH]c3=O)cc2C)cc1Br

HCID22339438

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Oc2c(C)cc(-n3nc(C(=O)OCC4CCCCC4)c(=O)[nH]c3=O)cc2C)cc1Br

HCID69707281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc277b3b4f724c1bb424456d0003326f
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

[Br:9][c:10]1[cH:11][c:12]([O:13][c:14]2[c:15]([CH3:32])[cH:16][c:17](-[n:21]3[n:22][c:23]([C:29](=[O:30])[OH:31])[c:24](=[O:28])[nH:25][c:26]3=[O:27])[cH:18][c:19]2[CH3:20])[cH:33][cH:34][c:35]1[O:36][CH3:37].[CH3:52][N:53]([CH3:54])[c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[CH:1]1([CH2:7][OH:8])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:38]([N:39]=[C:40]=[N:41][CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH:1]1([CH2:7][O:8][C:29]([c:23]2[n:22][n:21](-[c:17]3[cH:16][c:15]([CH3:32])[c:14]([O:13][c:12]4[cH:11][c:10]([Br:9])[c:35]([O:36][CH3:37])[cH:34][cH:33]4)[c:19]([CH3:20])[cH:18]3)[c:26](=[O:27])[nH:25][c:24]2=[O:28])=[O:30])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1