Acetate → HCID 19823951, compound

HRID 1151203Notes

Reaction equation

HRID 1151203 reaction equation
[CH3:23][CH2:24][C:25](=[O:26])[OH:27].[CH3:33][N:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[CH2:41][CH2:42][C:43](=[O:44])[OH:45].[CH3:47][C:48](=[O:49])[O-:50].[CH3:51][C:52](=[O:53])[OH:54].[ClH:28].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:6])[cH:7][cH:8][c:9]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[cH:10]1.[N:29]([O-:30])=[O:31].[Na+:32].[Na+:46].[OH2:55]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([N:6]=[N:29][c:38]2[cH:37][cH:36][c:35]([N:34]([CH3:33])[CH2:41][CH2:42][C:43](=[O:44])[OH:45])[cH:40][cH:39]2)[cH:7][cH:8][c:9]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[cH:10]1

Participants

10

Reactant 9

HCID 175AcetateHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 1032Propionic AcidHCID 125224893-(Methylphenylamino)-propionic acidHCID 141221844-Dodecyl-2-nitroaniline

Product 1

HCID 19823951HCID 19823951, compound

Sources & evidence

ORD record
ord-9f81e85c326149f5a6347560821e63b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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