Nitric Acid → Nitrate

HRID 683386Notes

Reaction equation

HRID 683386 reaction equation
[CH3:49][C:50]#[N:51].[OH-:5].[OH:1][N+:2]([O-:3])=[O:4].[c:6]1(-[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:7][cH:8][c:9]([CH:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n+:19]2[cH:20][n:21]([CH:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:31]3[cH:32][cH:33][c:34](-[c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[cH:35][cH:36]3)[cH:22][cH:23]2)[cH:10][cH:11]1>>[O:1]=[N+:2]([O-:3])[O-:4].[c:6]1(-[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:7][cH:8][c:9]([CH:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n+:19]2[cH:20][n:21]([CH:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:31]3[cH:32][cH:33][c:34](-[c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[cH:35][cH:36]3)[cH:22][cH:23]2)[cH:10][cH:11]1

Participants

6

Reactant 4

HCID 944Nitric AcidHCID 961HydroxideHCID 6342AcetonitrileHCID 5391694566600-23-5

Product 2

HCID 943NitrateHCID 5391694566600-23-5

Sources & evidence

ORD record
ord-df724289c7b94c109f16f6b91ba43e9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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