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Dimethyl Sulfoxide → N-(1,1-Dioxido-1-benzothien-6-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

HRID 134704
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반응식

HRID 134704 반응식
[CH3:48][S:49](=[O:50])[CH3:51].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[O:1]=[S:2]1(=[O:20])[CH:3]=[CH:4][c:5]2[c:6]1[cH:7][c:8]([NH:11][C:12]([O:13][CH2:14][C:15]([Cl:16])([Cl:17])[Cl:18])=[O:19])[cH:9][cH:10]2.[OH2:47].[c:21]1(-[c:27]2[n:28][s:29][c:30]([N:32]3[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]3)[n:31]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[O:1]=[S:2]1(=[O:20])[CH:3]=[CH:4][c:5]2[c:6]1[cH:7][c:8]([NH:11][C:12](=[O:19])[N:35]1[CH2:34][CH2:33][N:32]([c:30]3[s:29][n:28][c:27](-[c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[n:31]3)[CH2:37][CH2:36]1)[cH:9][cH:10]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 81531DiisopropylethylamineHCID 27777601-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazineHCID 866254872,2,2-Trichloroethyl (1,1-dioxido-1-benzothien-6-yl)carbamate

생성물 1

HCID 68775715N-(1,1-Dioxido-1-benzothien-6-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

출처 및 근거

ORD 기록
ord-82a52ea0df67490091faa226eec85fe6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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