HRID1542101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID16028

Tetrabutylammonium

C16H36N+

HCID33558

Azide

N3-

2 次

结构：Cc1ccc(S(=O)(=O)OCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc1

HCID10718129

(3-Chloro-4-fluorophenyl)[4-fluoro-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-piperidinyl]methanone

C20H20ClF2NO4S

PRODUCTS

生成物

结构：[N-]=[N+]=NCC1(F)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1

HCID19361720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b33e6e2184a4193b9395789a7e394c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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