HRID312414

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

HCID57826389

5-Chloro-4-(1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxylic acid

C9H7ClN2O2S

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

HCID178510837

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1-c1cc(C(=O)NC(Cc2cc(F)ccc2F)CN2C(=O)c3ccccc3C2=O)sc1Cl

HCID178481796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-428ec296caa740cbbf848e9e94704297
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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