HRID937007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

反应SMILES：Cc1cc(C)c2oc(Nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2c1

HCID11581347

(5,7-Dimethyl-benzoxazol-2-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine

C21H25BN2O3

HCID22347183

3-Iodo-1-(1-methyl-4-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C11H15IN6

PRODUCTS

产物

反应SMILES：Cc1cc(C)c2oc(Nc3ccc(-c4nn(C5CCN(C)CC5)c5ncnc(N)c45)cc3)nc2c1

HCID22347354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8cdb72e144a5459b8cac2b1367d4d902
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

[CH3:19][c:20]1[cH:21][c:22]([CH3:45])[c:23]2[c:24]([n:25][c:26]([NH:28][c:29]3[cH:30][cH:31][c:32]([B:35]4[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]4)[cH:33][cH:34]3)[o:27]2)[cH:44]1.[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[I:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[OH2:58].[Pd:59].[c:117]1([P:118]([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132][cH:133][cH:134][cH:135]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([NH:28][c:26]3[n:25][c:24]4[c:23]([c:22]([CH3:45])[cH:21][c:20]([CH3:19])[cH:44]4)[o:27]3)[cH:34][cH:33]2)[n:3][n:4]([CH:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12