Ethanol → HCID 66752966, compound

HRID 202635Notes

Reaction equation

HRID 202635 reaction equation
[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][OH:51].[CH:1]1([CH2:4][O:5][c:6]2[c:7]([CH:14]=[CH:15][c:16]3[n:17][c:18]4[n:19]([c:20](=[O:23])[c:21]3[I:22])[cH:24][cH:25][s:26]4)[cH:8][cH:9][cH:10][c:11]2[O:12][CH3:13])[CH2:2][CH2:3]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:52].[OH:27][B:28]([OH:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH:1]1([CH2:4][O:5][c:6]2[c:7]([CH:14]=[CH:15][c:16]3[n:17][c:18]4[n:19]([c:20](=[O:23])[c:21]3-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:24][cH:25][s:26]4)[cH:8][cH:9][cH:10][c:11]2[O:12][CH3:13])[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 66753593HCID 66753593, compound

Product 1

HCID 66752966HCID 66752966, compound

Sources & evidence

ORD record
ord-12ded9c976d14aef9b09111856d5a57c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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