HRID202327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

HCID44589694

未命名化合物

HCID86004233

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccccc2)n2nc(Nc3cccc(CCS(=O)(=O)O)c3)ncc12

HCID11361855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8747c881bb8a44acbb513dc6086e6b19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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