HRID310877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID59519513

N-(5-Bromo-2-chloro-3-pyridinyl)methanesulfonamide

C6H6BrClN2O2S

结构：CC1CN(Cc2nc(C(=O)Nc3cc(B4OC(C)(C)CC(C)(C)O4)cc4c3cnn4C)cs2)CC(C)O1

HCID178430442

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2nc(C(=O)Nc3cc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc4c3cnn4C)cs2)CC(C)O1

HCID75045232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78c6822a8ed442818cabf9802822d854
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:38][c:39]1[cH:40][c:41]([NH:46][S:47](=[O:48])(=[O:49])[CH3:50])[c:42]([Cl:45])[n:43][cH:44]1.[CH2:59]1[O:60][CH2:61][CH2:62][O:63][CH2:64]1.[CH3:1][CH:2]1[O:3][CH:4]([CH3:37])[CH2:5][N:6]([CH2:8][c:9]2[s:10][cH:11][c:12]([C:14](=[O:15])[NH:16][c:17]3[c:18]4[cH:19][n:20][n:21]([CH3:36])[c:22]4[cH:23][c:24]([B:26]4[O:27][C:28]([CH3:29])([CH3:30])[CH2:31][C:32]([CH3:33])([CH3:34])[O:35]4)[cH:25]3)[n:13]2)[CH2:7]1.[K+:56].[K+:57].[K+:58].[OH2:65].[P:51]([O-:52])([O-:53])([O-:54])=[O:55]>>[CH3:1][CH:2]1[O:3][CH:4]([CH3:37])[CH2:5][N:6]([CH2:8][c:9]2[s:10][cH:11][c:12]([C:14](=[O:15])[NH:16][c:17]3[c:18]4[cH:19][n:20][n:21]([CH3:36])[c:22]4[cH:23][c:24](-[c:39]4[cH:40][c:41]([NH:46][S:47](=[O:48])(=[O:49])[CH3:50])[c:42]([Cl:45])[n:43][cH:44]4)[cH:25]3)[n:13]2)[CH2:7]1