Ammonium → HCID 18959456, compound

HRID 141933Notes

Reaction equation

HRID 141933 reaction equation
[C:27]([CH2:28][C:29](=[O:30])[O:31][CH3:32])(=[O:33])[O:34][CH3:35].[CH3:40][N:41]1[CH2:42][CH2:43][CH2:44][C:45]1=[O:46].[Cl-:38].[Cl:1][c:2]1[c:3]([N+:24](=[O:25])[O-:26])[cH:4][c:5]([Cl:23])[c:6]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[cH:7]1.[H-:36].[NH4+:39].[Na+:37]>>[c:2]1([CH:28]([C:27](=[O:33])[O:34][CH3:35])[C:29](=[O:30])[O:31][CH3:32])[c:3]([N+:24](=[O:25])[O-:26])[cH:4][c:5]([Cl:23])[c:6]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[cH:7]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 7943Dimethyl malonateHCID 13387N-methyl-2-pyrrolidoneHCID 166653HydrideHCID 18959455HCID 18959455, compound

Product 1

HCID 18959456HCID 18959456, compound

Sources & evidence

ORD record
ord-de1d7a41f23549e4bfba27cabe167535
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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