Acetate → HCID 136116522, compound

HRID 1239680Notes

Reaction equation

HRID 1239680 reaction equation
[CH3:18][C:19](=[O:20])[OH:21].[CH3:23][C:24](=[O:25])[O-:26].[ClH:27].[NH2:28][OH:29].[Na+:22].[OH2:30].[OH:1][c:2]1[c:3]([CH:16]=[O:17])[cH:4][c:5]2[c:6]([NH:12][CH:13]([CH3:14])[CH3:15])[n:7][cH:8][n:9][c:10]2[cH:11]1>>[OH:1][c:2]1[c:3]([C:16]#[N:28])[cH:4][c:5]2[c:6]([NH:12][CH:13]([CH3:14])[CH3:15])[n:7][cH:8][n:9][c:10]2[cH:11]1

Participants

8

Sources & evidence

ORD record
ord-2484237edfdc4b91900ddb2be19f56e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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