HRID318133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID13097

Triphenylphosphine oxide

C18H15OP

HCID3602916

3-(MORPHOLINE-4-CARBONYL)PHENYLBORONIC ACID

C11H14BNO4

HCID40427454

5-Bromo-1H-pyrazolo[3,4-b]pyridine

C6H4BrN3

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc(-c2cnc3[nH]ncc3c2)c1)N1CCOCC1

HCID59836109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0792925321c4a5691957e96cdedc7f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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