HRID1237654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID15408784

1-(Methanesulfonyl)-2,5-dihydro-1H-pyrrole

C5H9NO2S

HCID58082330

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N1C=C(c2cccc3cnc(NC4CCC(O)CC4)nc23)CC1

HCID58082370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10840c5ace6f443397f420cec93edbf9
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

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