HRID90910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID16217778

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

C15H20BNO2

结构：CC(C)(C)OC(=O)c1ccc(Br)cc1Nc1ccc(F)cc1

HCID68956988

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：Cn1ccc2cc(-c3ccc(C(=O)OC(C)(C)C)c(Nc4ccc(F)cc4)c3)ccc21

HCID68959326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce4e50e398624b038a1dac57f7607bf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[C:42](=[O:43])([O-:44])[OH:45].[CH3:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[CH3:132][CH2:133][OH:134].[CH3:23][n:24]1[cH:25][cH:26][c:27]2[cH:28][c:29]([B:33]3[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]3)[cH:30][cH:31][c:32]12.[Na+:46].[OH2:131].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([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)([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)[cH:122][cH:123]1>>[c:2]1(-[c:29]2[cH:28][c:27]3[cH:26][cH:25][n:24]([CH3:23])[c:32]3[cH:31][cH:30]2)[cH:3][c:4]([NH:15][c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1