Water → HCID 10954430, compound

HRID 121738Notes

Reaction equation

HRID 121738 reaction equation
[CH3:19][N:20]1[CH2:21][CH2:22][CH2:23][C:24]1=[O:25].[CH3:26][N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[NH2:1][c:2]1[c:3]2[c:4]([s:5][c:6]1[C:7]([O:8][CH3:9])=[O:10])[cH:11][cH:12][c:13]([N+:15](=[O:16])[O-:17])[cH:14]2.[OH2:18]>>[NH2:1][c:2]1[c:3]2[c:4]([s:5][cH:6]1)[cH:11][cH:12][c:13]([N+:15](=[O:16])[O-:17])[cH:14]2

Participants

5

Reactant 4

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 531671-MethylpiperazineHCID 2759774methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate

Product 1

HCID 10954430HCID 10954430, compound

Sources & evidence

ORD record
ord-e1b48f5ff6224b6d912c20b91066452a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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