Ethanol → HCID 23015016, compound

HRID 2336056Notes

Reaction equation

HRID 2336056 reaction equation
[CH3:25][CH2:26][OH:27].[CH3:8][C:9]1=[C:10]([c:17]2[c:18]([CH:19]=[O:20])[cH:21][cH:22][cH:23][cH:24]2)[CH:11]([CH3:16])[C:12]([CH3:15])=[C:13]1[CH3:14].[NH2:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[N:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)=[CH:19][c:18]1[c:17]([C:10]2=[C:9]([CH3:8])[C:13]([CH3:14])=[C:12]([CH3:15])[CH:11]2[CH3:16])[cH:24][cH:23][cH:22][cH:21]1

Participants

4

Sources & evidence

ORD record
ord-30552fa2109648b5a5bf6457349bdf15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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