Acetic Acid → HCID 59184845, compound

HRID 2338872Notes

Reaction equation

HRID 2338872 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([N:10]([C:11]([CH3:12])=[O:13])[c:14]2[n:15]([CH2:25][c:26]3[cH:27][c:28]([F:42])[n:29][c:30]([NH:32][CH2:33][c:34]4[cH:35][cH:36][c:37]([O:38][CH3:39])[cH:40][cH:41]4)[cH:31]3)[c:16](=[O:24])[nH:17][c:18](=[O:23])[c:19]2[CH:20]([CH3:21])[CH3:22])[cH:6][c:7]([CH3:9])[cH:8]1.[CH3:43][C:44](=[O:45])[OH:46].[CH3:53][C:54]#[N:55].[NH4+:47].[O-:48][N+:49](=[O:50])[O-:51].[OH2:52]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([N:10]([C:11]([CH3:12])=[O:13])[c:14]2[n:15]([CH2:25][c:26]3[cH:27][c:28]([F:42])[n:29][c:30]([NH2:32])[cH:31]3)[c:16](=[O:24])[nH:17][c:18](=[O:23])[c:19]2[CH:20]([CH3:21])[CH3:22])[cH:6][c:7]([CH3:9])[cH:8]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 223AmmoniumHCID 943NitrateHCID 962WaterHCID 6342AcetonitrileHCID 59184842HCID 59184842, compound

Product 1

HCID 59184845HCID 59184845, compound

Sources & evidence

ORD record
ord-40f2aa60ff6848dd8bf0a35df72abeac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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