HRID137454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID44248997

2-(3-Boronophenyl)-2-methylpropanoic acid

C10H13BO4

HCID86615712

未命名化合物

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：COc1nc(NCC2OCCc3ccccc32)cc(-c2cccc(C(C)(C)C(=O)O)c2)n1

HCID53321438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-247b5727850543458c6b5bcd7128f367
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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