HRID149687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1

HCID1114101

未命名化合物

HCID178493175

未命名化合物

PRODUCTS

生成物

结构：COc1ccnc(CCc2nc3cc(-c4ccc(S(=O)(=O)N5CCN(c6ccc(C)cc6)CC5)cc4)cnc3[nH]2)c1

HCID178493148

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec6403d103854f54a1bbbd1b2022f597
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[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]3[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:6][cH:7]1.[C:49](=[O:50])([O-:51])[O-:52].[CH3:25][C:26](=[O:27])[O-:28].[CH3:29][O:30][c:31]1[cH:32][c:33]([CH2:37][CH2:38][c:39]2[n:40][c:41]3[c:42]([n:43][cH:44][c:45]([I:47])[cH:46]3)[nH:48]2)[n:34][cH:35][cH:36]1.[Cl-:56].[K+:24].[K+:53].[K+:54].[Li+:55].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[OH2:63].[Pd:64].[c:103]1([P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118][cH:119][cH:120][cH:121]1.[c:122]1([P:123]([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137][cH:138][cH:139][cH:140]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1.[c:84]1([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[cH:98][cH:99][cH:100][cH:101][cH:102]1>>[c:2]1(-[c:45]2[cH:44][n:43][c:42]3[c:41]([n:40][c:39]([CH2:38][CH2:37][c:33]4[cH:32][c:31]([O:30][CH3:29])[cH:36][cH:35][n:34]4)[nH:48]3)[cH:46]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([c:17]3[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:6][cH:7]1