Acetic Acid → HCID 11683189, compound

HRID 2138493Notes

Reaction equation

HRID 2138493 reaction equation
[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[n:30]1[c:31]([CH3:50])[c:32]([CH3:49])[c:33]2[cH:34][n:35][cH:36][c:37]([N:39]3[CH2:40][c:41]4[cH:42][cH:43][cH:44][cH:45][c:46]4[CH2:47][CH2:48]3)[c:38]12.[CH3:52][C:53](=[O:54])[OH:55].[Ce+4:5].[N+:11]([O-:12])([O-:13])=[O:14].[N+:15]([O-:16])([O-:17])=[O:18].[N+:19]([O-:20])([O-:21])=[O:22].[N+:1]([O-:2])([O-:3])=[O:4].[N+:7]([O-:8])([O-:9])=[O:10].[NH4+:6].[OH2:51]>>[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[n:30]1[c:31]([CH3:50])[c:32]([CH2:49][OH:51])[c:33]2[cH:34][n:35][cH:36][c:37]([N:39]3[CH2:40][c:41]4[cH:42][cH:43][cH:44][cH:45][c:46]4[CH2:47][CH2:48]3)[c:38]12

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 223AmmoniumHCID 943Nitrate5×HCID 962WaterHCID 119438Cerium(4+)HCID 11654312HCID 11654312, compound

Product 1

HCID 11683189HCID 11683189, compound

Sources & evidence

ORD record
ord-61a92f8445d14245a6e692a64d1fc892
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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