HRID159787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID6422

未命名化合物

HCID7519

Anisole

C7H8O

HCID61140

n-Butyl chloroformate

C5H9ClO2

HCID11019020

未命名化合物

结构：CC(C)Cc1cc(-c2cccc(C(=O)Cn3cnc4ccccc43)c2)c(S(=O)(=O)NC(C)(C)C)s1

HCID67132872

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2cnc3ccccc32)c1

HCID56965019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf06972b6ea14968992194f38dfba93f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:36][O:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:55][C:56](=[O:57])[O:58][CH2:59][CH2:60][CH2:61][CH3:62].[F:76][C:77]([F:78])([F:79])[C:80]([OH:81])=[O:82].[N:44]1([c:45]2[cH:46][cH:47][cH:48][cH:49][n:50]2)[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH:63][C:64]([CH2:65][C:66]([C:67](=[O:68])[OH:69])([CH2:70][C:71](=[O:72])[OH:73])[OH:74])=[O:75].[n:1]1([CH2:10][C:11](=[O:12])[c:13]2[cH:14][c:15](-[c:19]3[c:20]([S:28](=[O:29])(=[O:30])[NH:31][C:32]([CH3:33])([CH3:34])[CH3:35])[s:21][c:22]([CH2:24][CH:25]([CH3:26])[CH3:27])[cH:23]3)[cH:16][cH:17][cH:18]2)[cH:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH2:10][C:11](=[O:12])[c:13]2[cH:14][c:15](-[c:19]3[c:20]([S:28](=[O:29])(=[O:30])[NH:31][C:56](=[O:57])[O:58][CH2:59][CH2:60][CH2:61][CH3:62])[s:21][c:22]([CH2:24][CH:25]([CH3:26])[CH3:27])[cH:23]3)[cH:16][cH:17][cH:18]2)[cH:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2