HRID2335696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID21805812

未命名化合物

结构：O=C(c1ncc(Br)cn1)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

HCID22709572

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ncc(-c2ccncc2)cn1)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

HCID5326879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ffc4beb548348e088032d9810153a90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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