HRID1149274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1146

Trimethylamine

C3H9N

HCID6342

Acetonitrile

C2H3N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8471

Triethylamine

C6H15N

结构：Cc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O

HCID59717004

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)Oc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)cc1

HCID59717044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd2c29e7e7884edc97d23e65df904ca1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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