Acetonitrile → 4-(4-Bromo-3-methoxycarbonylmethyl-thiophen-2-yl)-benzoic acid

HRID 945333Notes

Reaction equation

HRID 945333 reaction equation
[Br:1][c:2]1[s:3][cH:4][c:5]([Br:12])[c:6]1[CH2:7][C:8](=[O:9])[O:10][CH3:11].[C:13](=[O:14])([OH:15])[c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[CH3:102][C:103]#[N:104].[cH:25]1[cH:26][cH:27][c:28]([P:29]([Pd:30]([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([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)[P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101]1>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([C:13](=[O:14])[OH:15])[cH:21][cH:20]2)[s:3][cH:4][c:5]([Br:12])[c:6]1[CH2:7][C:8](=[O:9])[O:10][CH3:11]

Participants

5

Sources & evidence

ORD record
ord-2d3fc57d879b461fb539622a6bf174a8
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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