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Dimethyl Sulfoxide → 9-[4-(Cycloheptyloxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

HRID 136440
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반응식

HRID 136440 반응식
[Br:26][CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1.[C:20](=[O:21])([O-:22])[O-:23].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:36][S:37]([CH3:38])=[O:39].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[K+:24].[K+:25].[Na+:35].[O:1]=[S:2]1(=[O:19])[N:3]=[C:4]2[N:5]([CH2:6][CH2:7]1)[CH:8]=[CH:9][CH:10]=[C:11]2[c:12]1[cH:13][cH:14][c:15]([OH:18])[cH:16][cH:17]1.[OH-:34]>>[O:1]=[S:2]1(=[O:19])[N:3]=[C:4]2[N:5]([CH2:6][CH2:7]1)[CH:8]=[CH:9][CH:10]=[C:11]2[c:12]1[cH:13][cH:14][c:15]([O:18][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[cH:16][cH:17]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2회HCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16992BromocycloheptaneHCID 19660Carbonate Ion
HCID 667478174-(2,2-Dioxido-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)phenol

생성물 1

HCID 667487069-[4-(Cycloheptyloxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

출처 및 근거

ORD 기록
ord-5a37b3e1d7034e90ab77b48863315902
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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