HRID199221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID55049154

未命名化合物

HCID57874408

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)N1CCC(Oc2cc(F)ccc2F)CC1)Nc1ccc(-c2ccccc2)cc1

HCID66591343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13554ca61e0f40c393b09d09a86f640e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[ClH:50].[ClH:51].[F:52][c:53]1[c:54]([O:55][CH:56]2[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]2)[cH:62][c:63]([F:66])[cH:64][cH:65]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[OH:20][n:21]1[c:22]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)[n:28][n:29]1.[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([NH:7][C:8]([CH2:9][C:10](=[O:11])[OH:12])=[O:13])[cH:5][cH:6]1>>[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([NH:7][C:8]([CH2:9][C:10](=[O:12])[N:59]2[CH2:58][CH2:57][CH:56]([O:55][c:54]3[c:53]([F:52])[cH:65][cH:64][c:63]([F:66])[cH:62]3)[CH2:61][CH2:60]2)=[O:13])[cH:5][cH:6]1