Ethanol → HCID 178431529, compound

HRID 1152122Notes

Reaction equation

HRID 1152122 reaction equation
[CH3:53][CH2:54][OH:55].[Cl:1][c:2]1[n:3][c:4]([N:10]2[CH:11]([CH3:16])[CH2:12][O:13][CH2:14][CH2:15]2)[cH:5][c:6]([CH2:8][OH:9])[n:7]1.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:17].[o:18]1[n:19][c:20]([NH:23][C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([B:32]3[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]3)[cH:30][cH:31]2)=[O:41])[cH:21][cH:22]1>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]([NH:25][C:24]([NH:23][c:20]3[n:19][o:18][cH:22][cH:21]3)=[O:41])[cH:31][cH:30]2)[n:3][c:4]([N:10]2[CH:11]([CH3:16])[CH2:12][O:13][CH2:14][CH2:15]2)[cH:5][c:6]([CH2:8][OH:9])[n:7]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 593799953-(1,2-Oxazol-3-yl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ureaHCID 72282660[2-Chloro-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]methanol

Product 1

HCID 178431529HCID 178431529, compound

Sources & evidence

ORD record
ord-c1d7f2bbbafc4ad5b40eb240c95e561b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…