HRID1220446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID22273650

未命名化合物

HCID22273653

5-Methoxy-2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

C15H14N2O3S

HCID67120332

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID22273670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-add593e6c10f4f1ca0e007fb02468b1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:75]1[O:76][CH2:77][CH2:78][CH2:79]1.[CH3:26][I:27].[Cl-:73].[NH4+:74].[Na+:72].[OH-:71].[OH2:80].[c:28]1([S:29](=[O:30])(=[O:31])[n:37]2[c:38]([CH3:48])[cH:39][c:40]3[cH:41][c:42]([O:46][CH3:47])[cH:43][n:44][c:45]23)[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:49]1([CH3:50])[cH:51][cH:52][cH:53][cH:54][c:55]1[S:56]([n:57]1[c:58]2[c:59]([cH:60][c:61]([O:62][CH3:63])[cH:64][n:65]2)[cH:66][c:67]1[CH3:68])(=[O:69])=[O:70].[c:6]1([S:7]([n:8]2[c:9]3[c:10]([cH:11][c:12]([O:13][CH3:14])[cH:15][n:16]3)[cH:17][cH:18]2)(=[O:19])=[O:20])[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[nH:37]1[c:38]([CH3:48])[cH:39][c:40]2[cH:41][c:42]([O:46][CH3:47])[cH:43][n:44][c:45]12