Ethanol → HCID 10112602, compound

HRID 123707Notes

Reaction equation

HRID 123707 reaction equation
[BH:25]([OH:26])[OH:27].[C:36](=[O:37])([O-:38])[O-:39].[CH3:28][O:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:42][CH2:43][OH:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[I:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([CH3:24])[C:11](=[O:23])[CH2:12][c:13]3[c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17]([O:19][CH3:20])[cH:18]3)[cH:6][cH:7]1.[Na+:40].[Na+:41].[OH2:52]>>[c:2]1(-[c:31]2[c:30]([O:29][CH3:28])[cH:35][cH:34][cH:33][cH:32]2)[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([CH3:24])[C:11](=[O:23])[CH2:12][c:13]3[c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17]([O:19][CH3:20])[cH:18]3)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 7519AnisoleHCID 19660Carbonate IonHCID 61668Boronic AcidHCID 10160160HCID 10160160, compound

Product 1

HCID 10112602HCID 10112602, compound

Sources & evidence

ORD record
ord-eb288b21357645798f4df11e4cbadb5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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