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Dimethyl Sulfoxide → tert-Butyl 4-{3-[ethyl(methylsulfonyl)amino]-4-nitrophenyl}-1,4-diazepane-1-carboxylate

HRID 1227183
Notes
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Reaction equation

HRID 1227183 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH2:1]([CH3:2])[N:3]([S:4](=[O:5])(=[O:6])[CH3:7])[c:8]1[c:9]([N+:15](=[O:16])[O-:17])[cH:10][cH:11][c:12]([F:14])[cH:13]1.[CH3:39][S:40]([CH3:41])=[O:42].[K+:36].[K+:37].[N:18]1([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:19][CH2:20][NH:21][CH2:22][CH2:23][CH2:24]1.[OH2:38]>>[CH2:1]([CH3:2])[N:3]([S:4](=[O:5])(=[O:6])[CH3:7])[c:8]1[c:9]([N+:15](=[O:16])[O-:17])[cH:10][cH:11][c:12]([N:21]2[CH2:20][CH2:19][N:18]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:24][CH2:23][CH2:22]2)[cH:13]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylateHCID 22272466N-ethyl-N-(5-fluoro-2-nitrophenyl)methanesulfonamide

Product 1

HCID 22272556
tert-Butyl 4-{3-[ethyl(methylsulfonyl)amino]-4-nitrophenyl}-1,4-diazepane-1-carboxylate

Sources & evidence

ORD record
ord-3ece5c754aef4033a65582f1cd846721
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes