HRID959100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID13318871

4-(Diethylboranyl)pyridine

C9H14BN

结构：CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

HCID16665576

tert-Butyl 4-(4-bromobenzene-1-sulfonyl)piperazine-1-carboxylate

C15H21BrN2O4S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccncc3)cc2)CC1

HCID22709905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08dcdf58d0e94c8886633a977bcc445f
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br-:42].[Br:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]2)[cH:6][cH:7]1.[CH2:24]([B:25]([CH2:26][CH3:33])[c:27]1[cH:28][cH:29][n:30][cH:31][cH:32]1)[CH3:34].[CH3:43][CH2:44][CH2:45][CH2:46][N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[K+:36].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH-:35].[OH2:60]>>[c:2]1(-[c:27]2[cH:28][cH:29][n:30][cH:31][cH:32]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]2)[cH:6][cH:7]1