HRID180313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

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

HCID18980142

3-Borono-4-methylbenzoic acid

C8H9BO4

HCID49871671

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)O)cc1-c1ccn2c(-c3ccccc3Cl)nnc2c1

HCID59261363

3-[3-(2-Chlorophenyl)-1,2,4-triazolo[4,3-a]pyridin-7-yl]-4-methylbenzoic acid

C20H14ClN3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b851c77dd2de454d978127c83fb75da8
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

[B:18]([OH:19])([OH:20])[c:21]1[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][c:29]1[CH3:30].[CH3:37][CH2:38][OH:39].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[CH3:46][OH:47].[Cl:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[c:12]([Cl:17])[cH:13][cH:14][cH:15][cH:16]1)[n:9][n:10]2.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[OH2:89].[Pd:48]([Cl:49])[Cl:50].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([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)[cH:84][cH:85][cH:86][cH:87][cH:88]1>>[c:2]1(-[c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][c:29]2[CH3:30])[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[c:12]([Cl:17])[cH:13][cH:14][cH:15][cH:16]1)[n:9][n:10]2