Ethanol → HCID 76605061, compound

HRID 1232995Notes

Reaction equation

HRID 1232995 reaction equation
[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]1[CH:16]([C:33]([NH:34][C:35]2([C:40](=[O:41])[NH:42][S:43](=[O:44])(=[O:45])[O:46][CH:47]3[CH2:48][CH2:49]3)[CH:36]([CH:38]=[CH2:39])[CH2:37]2)=[O:50])[CH2:17][CH:18]([O:20][c:21]2[n:22][cH:23][cH:24][c:25]3[cH:26][c:27]([O:31][CH3:32])[cH:28][cH:29][c:30]23)[CH2:19]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH3:57][CH2:58][OH:59].[O-:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]1[CH:16]([C:33]([NH:34][C:35]2([C:40](=[O:41])[NH:42][S:43](=[O:44])(=[O:45])[O:46][CH:47]3[CH2:48][CH2:49]3)[CH:36]([CH2:38][CH3:39])[CH2:37]2)=[O:50])[CH2:17][CH:18]([O:20][c:21]2[n:22][cH:23][cH:24][c:25]3[cH:26][c:27]([O:31][CH3:32])[cH:28][cH:29][c:30]23)[CH2:19]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8857Ethyl AcetateHCID 84468TrifluoroacetateHCID 76604921HCID 76604921, compound

Product 1

HCID 76605061HCID 76605061, compound

Sources & evidence

ORD record
ord-5b007330ca2742fe80636a41fe5c91ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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