HRID2327490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID3698726

4-Isopropoxyphenylboronic acid

C9H13BO3

结构：CC(C)OC(=O)N1CCC(Oc2ccnc3c(Cl)cccc23)CC1

HCID57496380

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(Oc2ccnc3c(-c4ccc(OC(C)C)cc4)cccc23)CC1

HCID11385349

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3edbd7504dc9421694ce4af3df776a97
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

[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[cH:15][cH:16][n:17][c:18]3[c:19]([Cl:24])[cH:20][cH:21][cH:22][c:23]23)[CH2:11][CH2:12]1.[CH:25]([CH3:26])([CH3:27])[O:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[Pd:57].[c:115]1([P:116]([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130][cH:131][cH:132][cH:133]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[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>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[cH:15][cH:16][n:17][c:18]3[c:19](-[c:32]4[cH:31][cH:30][c:29]([O:28][CH:25]([CH3:26])[CH3:27])[cH:34][cH:33]4)[cH:20][cH:21][cH:22][c:23]23)[CH2:11][CH2:12]1