Ethanol → HCID 68578398, compound

HRID 285939Notes

Reaction equation

[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:18][cH:19]1)[CH2:6][N:7]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:8][CH2:9][O:10]2.[CH3:31][CH2:32][OH:33].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:20][c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[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:24]2[cH:23][cH:22][c:21]([Cl:20])[cH:26][cH:25]2)[cH:3][c:4]2[c:5]([cH:18][cH:19]1)[CH2:6][N:7]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:8][CH2:9][O:10]2

Participants

Reactant 8

HCID 19660Carbonate Ion

HCID 742994-Chlorophenylboronic acid

HCID 68578192HCID 68578192, compound

HCID 178420554HCID 178420554, compound

Product 1

HCID 68578398HCID 68578398, compound

Sources & evidence

ORD record: ord-984e88d391ef4152ae8a7fd7ce660472
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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