HRID192999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID16086086

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

C14H19BO4

HCID86618194

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)O)cc1-c1cc(C=O)c(C(=O)NC(C)(C)C)s1

HCID86618195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-394e6884d07f4f0c8b8fcefbfbe924e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[c:8]1[s:9][c:10]([Cl:15])[cH:11][c:12]1[CH:13]=[O:14].[CH3:16][c:17]1[c:18]([B:26]2[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]2)[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]1.[CH3:41][CH2:42][OH:43].[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[Cl-:50].[NH4+:51].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:93].[Pd:52]([Cl:53])[Cl:54].[c:55]1([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)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([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)[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[c:8]1[s:9][c:10](-[c:18]2[c:17]([CH3:16])[cH:25][cH:24][c:20]([C:21](=[O:22])[OH:23])[cH:19]2)[cH:11][c:12]1[CH:13]=[O:14]