Acetic Acid → HCID 59770502, compound

HRID 686684Notes

Reaction equation

HRID 686684 reaction equation
[C:24]([OH:25])(=[O:26])[CH3:27].[Na:28][O:29][C:30]#[N:31].[OH2:32].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[C:6]2=[CH:16][c:17]1[c:18]([NH2:23])[cH:19][cH:20][cH:21][cH:22]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[C:6]2=[CH:16][c:17]1[c:18]([NH:23][C:30](=[O:29])[NH2:31])[cH:19][cH:20][cH:21][cH:22]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 59770309HCID 59770309, compoundHCID 178418852HCID 178418852, compound

Product 1

HCID 59770502HCID 59770502, compound

Sources & evidence

ORD record
ord-c5876e3a900642bcb9073b3dbd7fe6cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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