Acetone → Methyl-4-({4-[2-(benzyloxy)phenyl]-1,3-thiazol-2-yl}methyl)benzoate

HRID 1230510Notes

Reaction equation

HRID 1230510 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10](-[c:15]2[n:16][c:17]([CH2:20][OH:21])[s:18][cH:19]2)[cH:11][cH:12][cH:13][cH:14]1.[CH2:64]([OH:65])[CH3:66].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:29][S:30]([Cl:31])(=[O:32])=[O:33].[CH3:36][O:37][C:38](=[O:39])[c:40]1[cH:41][cH:42][c:43]([B:46]([OH:47])[OH:48])[cH:44][cH:45]1.[CH3:60][C:61](=[O:62])[CH3:63].[CH3:67][O:68][CH2:69][CH2:70][O:71][CH3:72].[I-:35].[Na+:34].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:73]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10](-[c:15]2[n:16][c:17]([CH2:20][c:43]3[cH:42][cH:41][c:40]([C:38]([O:37][CH3:36])=[O:39])[cH:45][cH:44]3)[s:18][cH:19]2)[cH:11][cH:12][cH:13][cH:14]1

Participants

13

Reactant 12

HCID 180AcetoneHCID 702EthanolHCID 923Sodium ion3×HCID 962WaterHCID 8028TetrahydrofuranHCID 80711,2-DimethoxyethaneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 31297Methanesulfonyl chlorideHCID 27343694-Methoxycarbonylphenylboronic acidHCID 58127962{4-[2-(Benzyloxy)phenyl]-1,3-thiazol-2-yl}methanol

Product 1

HCID 58127863Methyl-4-({4-[2-(benzyloxy)phenyl]-1,3-thiazol-2-yl}methyl)benzoate

Sources & evidence

ORD record
ord-387d914bb83b48ebb015b74e8ee0cd43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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