Ethanol → HCID 57460572, compound

HRID 2161147Notes

Reaction equation

HRID 2161147 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6](-[n:10]2[c:11]([CH3:37])[n:12][c:13]([CH2:33][CH2:34][CH2:35][CH3:36])[c:14]([CH2:17][c:18]3[c:19]([F:32])[cH:20][c:21](-[c:24]4[c:25]([C:30]#[N:31])[cH:26][cH:27][cH:28][cH:29]4)[cH:22][cH:23]3)[c:15]2=[O:16])[cH:7][cH:8][cH:9]1.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:45][CH2:46][OH:47].[OH2:44]>>[CH:1]([CH3:2])([OH:3])[c:4]1[cH:5][c:6](-[n:10]2[c:11]([CH3:37])[n:12][c:13]([CH2:33][CH2:34][CH2:35][CH3:36])[c:14]([CH2:17][c:18]3[c:19]([F:32])[cH:20][c:21](-[c:24]4[c:25]([C:30]#[N:31])[cH:26][cH:27][cH:28][cH:29]4)[cH:22][cH:23]3)[c:15]2=[O:16])[cH:7][cH:8][cH:9]1

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 8857Ethyl AcetateHCID 57460571HCID 57460571, compound

Product 1

HCID 57460572HCID 57460572, compound

Sources & evidence

ORD record
ord-9ecd2ab6a8c141beaccb3281b92ef386
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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