Acetic Acid → HCID 59313084, compound

HRID 1562555Notes

Reaction equation

HRID 1562555 reaction equation
[CH3:35][C:36](=[O:37])[OH:38].[Cl:17][c:18]1[n:19][c:20](-[c:27]2[c:28]([Cl:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:21][c:22]2[n:23]1[cH:24][cH:25][n:26]2.[H-:15].[NH2:1][c:2]1[c:3]([N+:12](=[O:13])[O-:14])[cH:4][cH:5][c:6]([NH:8][CH2:9][CH2:10][OH:11])[n:7]1.[Na+:16].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[NH2:1][c:2]1[c:3]([N+:12](=[O:13])[O-:14])[cH:4][cH:5][c:6]([NH:8][CH2:9][CH2:10][O:11][c:18]2[n:19][c:20](-[c:27]3[c:28]([Cl:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[cH:21][c:22]3[n:23]2[cH:24][cH:25][n:26]3)[n:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 22142587HCID 22142587, compoundHCID 59312932HCID 59312932, compound

Product 1

HCID 59313084HCID 59313084, compound

Sources & evidence

ORD record
ord-747cba3badd24919ba4c8b66f50b8262
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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