Ethanol → HCID 178467179, compound

HRID 1211407Notes

Reaction equation

HRID 1211407 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([NH:20][CH:21]2[CH2:22][N:23]([C:29]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)=[O:38])[CH2:24][CH:25]2[O:26][CH2:27][CH3:28])[n:5][c:6]([CH2:18][CH3:19])[c:7](-[c:9]2[c:10]([CH3:17])[n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:8]1.[CH3:45][CH2:46][OH:47].[CH:39]1=[CH:44][CH2:43][CH:42]=[CH:41][CH2:40]1>>[CH2:1]([CH3:2])[c:3]1[c:4]([NH:20][CH:21]2[CH2:22][NH:23][CH2:24][CH:25]2[O:26][CH2:27][CH3:28])[n:5][c:6]([CH2:18][CH3:19])[c:7](-[c:9]2[c:10]([CH3:17])[n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:8]1

Participants

4

Reactant 3

HCID 702EthanolHCID 123431,4-CyclohexadieneHCID 178467212HCID 178467212, compound

Product 1

HCID 178467179HCID 178467179, compound

Sources & evidence

ORD record
ord-de2d1b06c8364826bf3e6b23a8dbbe01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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