HRID1567244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID46739020

tert-Butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate

C19H31BN4O4

结构：Cn1cc(-c2ccnc3c2cc(I)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID68997040

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccnc3c2cc(-c2cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc2)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID68999574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2889fba12a2a4742aacffab95b26a0a4
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

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