HRID190452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID17973671

未命名化合物

HCID23450138

未命名化合物

PRODUCTS

生成物

结构：O=C(c1nc(CO)sc1-c1ccc(F)cc1)N1CCCCC1Cc1nc2cc(F)c(F)cc2[nH]1

HCID17973696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-445be072dca34a488b37799866c538ac
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

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