Ammonium → HCID 178481599, compound

HRID 2350156Notes

Reaction equation

HRID 2350156 reaction equation
[CH3:44][CH2:45][OH:46].[Cl-:42].[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([N:22]3[CH2:23][CH:24]([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:25][CH2:26][CH2:27]3)[c:7]([C:20]#[N:21])[c:8]3[n:9][c:10]([S:16]([CH3:17])(=[O:18])=[O:19])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[cH:36][cH:37][cH:38][cH:39]1.[NH4+:43].[Na+:41].[OH-:40]>>[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([N:22]3[CH2:23][CH:24]([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:25][CH2:26][CH2:27]3)[c:7]([C:20]#[N:21])[c:8]3[n:9][c:10]([OH:40])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[cH:36][cH:37][cH:38][cH:39]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 178481656HCID 178481656, compound

Product 1

HCID 178481599HCID 178481599, compound

Sources & evidence

ORD record
ord-96965104251541239d9978c28ff7c9de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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