Acetic Acid → HCID 9821331, compound

HRID 665102Notes

Reaction equation

HRID 665102 reaction equation
[C:47]([OH:48])(=[O:49])[CH3:50].[CH2:1]([O:2][C:3](=[O:4])[NH:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:17])[N:18]([CH:19]([CH2:20][N:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[c:26]2[cH:27][c:28]([N+:32](=[O:33])[O-:34])[cH:29][cH:30][cH:31]2)[CH3:35])[cH:13][cH:14]1)[CH2:5][CH2:6][CH3:7].[CH3:36][O:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[ClH:44].[Na+:46].[OH-:45]>>[NH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:17])[N:18]([CH:19]([CH2:20][N:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[c:26]2[cH:27][c:28]([N+:32](=[O:33])[O-:34])[cH:29][cH:30][cH:31]2)[CH3:35])[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 7519AnisoleHCID 9934964HCID 9934964, compound

Product 1

HCID 9821331HCID 9821331, compound

Sources & evidence

ORD record
ord-6ab1313f27ff400596cc09c7c2f3ed2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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