Bromide ion → 4-[3-(2-Benzyloxy-4-cyanophenyl)propyl]benzoic acid

HRID 1228481Notes

Reaction equation

HRID 1228481 reaction equation
[Br-:19].[C:20]([c:21]1[cH:22][cH:23][c:24]([CH2:25][CH2:26][P+:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47]1)([OH:48])=[O:49].[CH2:1]([O:2][c:3]1[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9][c:10]1[CH:11]=[O:12])[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[CH2:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[O:57][c:58]1[c:59]([CH:66]=[CH:67][CH2:68][c:69]2[cH:70][cH:71][c:72]([C:73](=[O:74])[OH:75])[cH:76][cH:77]2)[cH:60][cH:61][c:62]([C:64]#[N:65])[cH:63]1.[CH2:78]([O:79][c:80]1[cH:81][c:82]([C:83]#[N:84])[cH:85][cH:86][c:87]1[CH2:88][CH:89]=[CH:90][c:91]1[cH:92][cH:93][c:94]([C:95]([OH:96])=[O:97])[cH:98][cH:99]1)[c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[OH:106][c:107]1[cH:108][c:109]([C:110]#[N:111])[cH:112][cH:113][c:114]1[CH2:115][CH2:116][CH2:117][c:118]1[cH:119][cH:120][c:121]([C:122]([OH:123])=[O:124])[cH:125][cH:126]1>>[CH2:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[O:57][c:58]1[c:59]([CH2:66][CH2:67][CH2:68][c:69]2[cH:70][cH:71][c:72]([C:73](=[O:74])[OH:75])[cH:76][cH:77]2)[cH:60][cH:61][c:62]([C:64]#[N:65])[cH:63]1

Participants

7

Reactant 6

HCID 259Bromide ionHCID 189737994-[3-(2-Hydroxy-4-cyanophenyl)propyl)benzoic acidHCID 189739062-Benzyloxy-4-cyanobenzaldehydeHCID 189740972-(4-Carboxyphenyl)ethyl-triphenylphosphaniumHCID 542188634-[3-(2-Benzyloxy-4-cyanophenyl)prop-1-enyl]benzoic acidHCID 703466874-[3-(2-Benzyloxy-4-cyanophenyl)prop-2-enyl]benzoic acid

Product 1

HCID 189741064-[3-(2-Benzyloxy-4-cyanophenyl)propyl]benzoic acid

Sources & evidence

ORD record
ord-4f66a97e03424f9c89ac1b14858ab0f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…