Ethanol → HCID 178472992, compound

HRID 91275Notes

Reaction equation

HRID 91275 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[C:8](=[O:9])([CH3:10])[O:11][CH:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:18]1[cH:19][c:20]([NH:25][C:26]([c:27]2[c:28]([Cl:46])[cH:29][c:30]([O:33][CH2:34][CH:35]3[O:36][c:37]4[c:38]([cH:42][cH:43][cH:44][cH:45]4)[N:39]([CH3:41])[CH2:40]3)[cH:31][cH:32]2)=[O:47])[c:21]([Cl:24])[cH:22][cH:23]1.[CH3:48][CH2:49][OH:50].[K+:5].[K+:6].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:7]>>[OH:11][CH:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:18]1[cH:19][c:20]([NH:25][C:26]([c:27]2[c:28]([Cl:46])[cH:29][c:30]([O:33][CH2:34][CH:35]3[O:36][c:37]4[c:38]([cH:42][cH:43][cH:44][cH:45]4)[N:39]([CH3:41])[CH2:40]3)[cH:31][cH:32]2)=[O:47])[c:21]([Cl:24])[cH:22][cH:23]1

Participants

7

Reactant 6

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 178473085HCID 178473085, compound

Product 1

HCID 178472992HCID 178472992, compound

Sources & evidence

ORD record
ord-295b9e11659f4c36868b97fe21079ab2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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