HRID149603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID51341862

Ethyl 5-chloro-2-iodobenzoate

C9H8ClIO2

HCID178420554

未命名化合物

PRODUCTS

产物

HCID59830347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-66da06f22c224ad79f23b6bce63dbb0d
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

[CH2:14]([CH2:15][O:16][CH3:17])[O:18][CH3:19].[Cl:1][c:2]1[cH:3][cH:4][c:5]([I:13])[c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12]1.[K+:29].[K+:30].[O-:31][C:32]([O-:33])=[O:34].[OH2:112].[OH:20][B:21]([OH:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([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]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12]1