Bromide ion → HCID 53629193, compound

HRID 1571977Notes

Reaction equation

[Br-:44].[Br:1][c:2]1[c:3]([CH2:20][OH:21])[c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[cH:9][n:10]2.[C:39](#[N:40])[CH2:41][CH3:42].[CH3:22][OH:23].[CH3:45][CH2:46][CH2:47][CH2:48][N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:43].[OH:24][B:25]([OH:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([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)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[c:2]1(-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:3]([CH2:20][OH:21])[c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[cH:9][n:10]2

Participants

Reactant 10

HCID 7854Propionitrile

HCID 16028Tetrabutylammonium

HCID 19660Carbonate Ion

HCID 66827Phenylboronic Acid

HCID 57742987HCID 57742987, compound

HCID 178420554HCID 178420554, compound

Product 1

HCID 53629193HCID 53629193, compound

Sources & evidence

ORD record: ord-2aae56d57cf04df28c476b01af213d76
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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