HRID99227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81503

Bromomethylcyclopropane

C4H7Br

HCID2777523

6-(Trifluoromethyl)indole

C9H6F3N

HCID21455623

Ethyl [(2-amino-1,3-thiazol-5-yl)sulfanyl]acetate

C7H10N2O2S2

结构：O=C(O)CSc1csc(NC(=O)c2cn(CC3CC3)c3cc(F)ccc23)n1

HCID86610210

未命名化合物

HCID86610213

未命名化合物

PRODUCTS

生成物

HCID798

Indole

C8H7N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36e33d20b62f4353a28cecaa77c8ffcf
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

[CH2:19]([O:20][C:21](=[O:22])[CH:23]([S:24][c:25]1[s:26][c:27]([NH2:28])[n:29][cH:30]1)[CH3:31])[CH3:32].[CH2:33]([O:34][C:35](=[O:36])[CH2:37][S:38][c:39]1[s:40][c:41]([NH2:42])[n:43][cH:44]1)[CH3:45].[CH:14]1([CH2:15][Br:16])[CH2:17][CH2:18]1.[CH:46]1([CH2:47][n:48]2[c:49]3[c:50]([cH:51][cH:52][c:53]([F:54])[cH:55]3)[c:56]([C:57]([NH:58][c:59]3[s:60][cH:61][c:62]([S:63][CH2:64][C:65]([OH:66])=[O:67])[n:68]3)=[O:69])[cH:70]2)[CH2:71][CH2:72]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][nH:9][c:10]2[cH:11]1)([F:12])[F:13]>>[cH:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][nH:9][c:10]2[cH:11]1