2-Butenedioic acid → Ranisen

HRID 105711Notes

Reaction equation

HRID 105711 reaction equation
[C:1]([OH:2])(=[O:3])[CH:4]=[CH:5][C:6]([OH:7])=[O:8].[C:34](=[O:35])([O-:36])[O-:37].[CH3:9][N:10]([CH3:11])[CH2:12][c:13]1[cH:14][cH:15][c:16]([CH2:18][S:19][C:20](=[NH:21])[NH2:22])[o:17]1.[Cl:23][CH2:24][CH2:25][NH:26][C:27](=[CH:28][N+:29](=[O:30])[O-:31])[NH:32][CH3:33].[K+:38].[K+:39].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:40]>>[CH3:9][N:10]([CH3:11])[CH2:12][c:13]1[cH:14][cH:15][c:16]([CH2:18][S:19][CH2:20][CH2:25][NH:26][C:27](=[CH:28][N+:29](=[O:30])[O-:31])[NH:32][CH3:33])[o:17]1

Participants

8

Reactant 7

HCID 7232-Butenedioic acidHCID 813Potassium Cation2×HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 12888903HCID 12888903, compoundHCID 71421354N~1~-(2-Chloroethyl)-N'~1~-methyl-2-nitroethene-1,1-diamine

Product 1

HCID 5039Ranisen

Sources & evidence

ORD record
ord-e10482a3e2ee4e5b8286811e6aa6df8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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