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Dimethyl Sulfoxide → Tert-butyl4-[5-chloro-2-(2-chloro-4-{[(2,4-dimethoxybenzyl)(1,2,4-thiadiazol-5-yl)amino]sulfonyl}-5-fluorophenoxy)phenyl]piperidine-1-carboxylate

HRID 1138990
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HRID 1138990 반응식
[C:22](=[O:23])([O-:24])[O-:25].[CH3:57][S:58](=[O:59])[CH3:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:21])[c:6]([CH:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:7]1.[Cl:28][c:29]1[c:30]([F:56])[cH:31][c:32]([F:55])[c:33]([S:35](=[O:36])(=[O:37])[N:38]([c:39]2[n:40][cH:41][n:42][s:43]2)[CH2:44][c:45]2[c:46]([O:53][CH3:54])[cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]2)[cH:34]1.[K+:26].[K+:27].[OH2:67]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:21][c:30]2[c:29]([Cl:28])[cH:34][c:33]([S:35](=[O:36])(=[O:37])[N:38]([c:39]3[n:40][cH:41][n:42][s:43]3)[CH2:44][c:45]3[c:46]([O:53][CH3:54])[cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]3)[c:32]([F:55])[cH:31]2)[c:6]([CH:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:7]1
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참가 물질

8

반응물 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2회HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 59436559Tert-butyl4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylateHCID 59436614
5-chloro-N-(2,4-dimethoxybenzyl)-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

생성물 1

HCID 66905669Tert-butyl4-[5-chloro-2-(2-chloro-4-{[(2,4-dimethoxybenzyl)(1,2,4-thiadiazol-5-yl)amino]sulfonyl}-5-fluorophenoxy)phenyl]piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-6cb13ec839aa48d780250f0d5272c596
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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