HRID108629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID81531

Diisopropylethylamine

C8H19N

HCID2737043

2,6-difluoro-dl-phenylalanine

C9H9F2NO2

HCID57826380

未命名化合物

结构：NC(Cc1cc(F)ccc1F)CN1C(=O)c2ccccc2C1=O

HCID178510837

未命名化合物

PRODUCTS

生成物

结构：Cc1sc(C(=O)NC(Cc2cc(F)ccc2F)CN2C(=O)c3ccccc3C2=O)cc1-c1c(Cl)cnn1C

HCID178435084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5fc482abd734250b9d299c3996340fe
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

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