Ammonium → HCID 178448404, compound

HRID 2345309Notes

Reaction equation

HRID 2345309 reaction equation
[CH3:47][C:48]#[N:49].[CH3:51][OH:52].[Cl:1][CH2:2][C:3](=[CH2:4])[CH:5]1[CH:6]([CH:29]([CH3:30])[O:31][C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[C:7](=[O:28])[N:8]1[CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]([O:24][CH3:25])[cH:26][cH:27]1.[NH4+:42].[O-:43][N+:44](=[O:45])[O-:46].[OH2:50]>>[Cl:1][CH2:2][C:3](=[CH2:4])[CH:5]1[CH:6]([CH:29]([CH3:30])[O:31][C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[C:7](=[O:28])[NH:8]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 887MethanolHCID 943NitrateHCID 962WaterHCID 6342AcetonitrileHCID 178448401HCID 178448401, compound

Product 1

HCID 178448404HCID 178448404, compound

Sources & evidence

ORD record
ord-f38d06db6ce04f53a99815837f83b9ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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