HRID2343485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21062254

S-2-Pyridinyl 4-bromo-2-chlorobenzenecarbothioate

C12H7BrClNOS

HCID21062255

未命名化合物

结构：Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(C(C)O)c(F)c4)(C4CCCC4)OC3=O)nc2n1

HCID68868602

未命名化合物

PRODUCTS

生成物

HCID15560950

1-(4-Bromo-2-chlorophenyl)ethan-1-one

C8H6BrClO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a19403f935748998d31631049f86346
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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