HRID111082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734354

(2-Fluorophenyl)boronato(2-)

C6H6BFO2

HCID59403519

tert-Butyl 9-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

C14H18BrNO3

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：CC(C)(C)OC(=O)N1CCOc2c(cccc2-c2ccccc2F)C1

HCID68578730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4d4f182f17048979ec6f01dc0ffb253
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][cH:4][cH:5][c:6]2[c:12]1[O:11][CH2:10][CH2:9][N:8]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:7]2.[CH3:31][CH2:32][OH:33].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[F:20][c:21]1[c:22]([B:27]([OH:28])[OH:29])[cH:23][cH:24][cH:25][cH:26]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:30].[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:22]2[c:21]([F:20])[cH:26][cH:25][cH:24][cH:23]2)[cH:3][cH:4][cH:5][c:6]2[c:12]1[O:11][CH2:10][CH2:9][N:8]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:7]2