HRID102903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID97743

N-Carbobenzoyl-DL-valine

C13H17NO4

结构：Nc1nc2c(ncn2C2CC(F)C(CO)O2)c(=O)[nH]1

HCID135525492

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)OCc1ccccc1)C(=O)C(O)C1OC(n2cnc3c(=O)[nH]c(N)nc32)CC1F

HCID178449691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36280cbd93884feda93a7d8aa32f4e7b
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

[C:20](=[O:21])([O:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[NH:30][CH:31]([CH:32]([CH3:33])[CH3:34])[C:35](=[O:36])[OH:37].[CH3:63][N:64]([CH3:65])[c:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1.[CH:48]1([N:49]=[C:50]=[N:51][CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[F:1][CH:2]1[CH2:3][CH:4]([n:9]2[cH:10][n:11][c:12]3[c:13](=[O:14])[nH:15][c:16]([NH2:17])[n:18][c:19]23)[O:5][CH:6]1[CH2:7][OH:8].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[F:1][CH:2]1[CH2:3][CH:4]([n:9]2[cH:10][n:11][c:12]3[c:13](=[O:14])[nH:15][c:16]([NH2:17])[n:18][c:19]23)[O:5][CH:6]1[CH:7]([OH:8])[C:35]([CH:31]([NH:30][C:20](=[O:21])[O:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH:32]([CH3:33])[CH3:34])=[O:36]