Ammonium → HCID 178448862, compound

HRID 294050Notes

Reaction equation

HRID 294050 reaction equation
[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl:11][c:12]1[c:13](-[c:19]2[nH:20][c:21](-[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:22](-[c:24]3[cH:25][cH:26][c:27]([N+:35]([O-:36])=[O:37])[c:28]([NH:30][CH2:31][CH:32]([CH3:33])[CH3:34])[n:29]3)[n:23]2)[c:14]([Cl:18])[cH:15][cH:16][cH:17]1.[NH4+:10].[Na+:7].[Na+:8].[OH-:9].[OH2:44].[S:1]([S:2]([O-:3])=[O:4])([O-:5])=[O:6]>>[Cl:11][c:12]1[c:13](-[c:19]2[nH:20][c:21](-[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:22](-[c:24]3[cH:25][cH:26][c:27]([NH2:35])[c:28]([NH:30][CH2:31][CH:32]([CH3:33])[CH3:34])[n:29]3)[n:23]2)[c:14]([Cl:18])[cH:15][cH:16][cH:17]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 1086DithioniteHCID 8857Ethyl AcetateHCID 178448863HCID 178448863, compound

Product 1

HCID 178448862HCID 178448862, compound

Sources & evidence

ORD record
ord-e3c57d6078c94e62b493151fa4460320
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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