HRID115617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10240948

未命名化合物

HCID59140126

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(CONC(=O)c2ncc3cncn3c2Nc2ccc(I)cc2F)O1

HCID72526892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de2198e1602e49949cab82e35b073d40
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

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