HRID1204862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID23978

Copper

HCID166653

Hydride

H-

结构：O=S(=O)(c1ccc(Br)cc1)C1CCN(CCc2ccc(F)cc2F)CC1

HCID11048512

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(-n2cncn2)cc1)C1CCN(CCc2ccc(F)cc2F)CC1

HCID23499478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9489d8dd1bcd4f09a7cb96cd4f1c9332
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:6][c:7]1[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][c:24]3[c:25]([F:31])[cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:20][CH2:21]2)[cH:11][cH:12]1.[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[Cl:35][CH2:36][Cl:37].[Cu:45].[H-:32].[Na+:33].[OH2:34].[nH:1]1[n:2][cH:3][n:4][cH:5]1>>[n:1]1(-[c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH:16]3[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][c:24]4[c:25]([F:31])[cH:26][c:27]([F:30])[cH:28][cH:29]4)[CH2:20][CH2:21]3)[cH:11][cH:12]2)[n:2][cH:3][n:4][cH:5]1