Ethanol → HCID 178442288, compound

HRID 311677Notes

Reaction equation

HRID 311677 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8]2[cH:9][cH:10][c:11]([NH:15][C:16](=[O:17])[CH:18]3[NH:19][CH:20]([CH2:41][C:42]([CH3:43])([CH3:44])[CH3:45])[C:21]([C:31]#[N:32])([c:33]4[c:34]([F:40])[cH:35][c:36]([Cl:39])[cH:37][cH:38]4)[CH:22]3[c:23]3[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]3)[cH:12][c:13]2[cH:14]1.[CH3:48][CH2:49][OH:50].[K+:47].[OH-:46].[OH2:51]>>[O:3]=[C:4]([OH:5])[c:6]1[nH:7][c:8]2[cH:9][cH:10][c:11]([NH:15][C:16](=[O:17])[CH:18]3[NH:19][CH:20]([CH2:41][C:42]([CH3:43])([CH3:44])[CH3:45])[C:21]([C:31]#[N:32])([c:33]4[c:34]([F:40])[cH:35][c:36]([Cl:39])[cH:37][cH:38]4)[CH:22]3[c:23]3[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]3)[cH:12][c:13]2[cH:14]1

Participants

6

Reactant 5

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 178468524HCID 178468524, compound

Product 1

HCID 178442288HCID 178442288, compound

Sources & evidence

ORD record
ord-c5733fb5a2a84be1a4b996ec9b78a7ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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