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

HRID 1227183
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HRID 1227183 반응식
[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
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HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylateHCID 22272466N-ethyl-N-(5-fluoro-2-nitrophenyl)methanesulfonamide

생성물 1

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

출처 및 근거

ORD 기록
ord-3ece5c754aef4033a65582f1cd846721
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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