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Diethyl Ether → 7-[(2,4-Dichlorophenyl)carbonyl]-3-(1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

HRID 196022
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HRID 196022 반응식
[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:64][CH2:65][O:66][CH2:67][CH3:68].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][c:40]([Cl:41])[cH:42][c:43]1[Cl:44].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1.[s:45]1[n:46][cH:47][n:48][c:49]1-[c:50]1[n:51][n:52][c:53]2[n:54]1[CH2:55][CH2:56][NH:57][CH2:58]2>>[C:35](=[O:36])([c:37]1[cH:38][cH:39][c:40]([Cl:41])[cH:42][c:43]1[Cl:44])[N:57]1[CH2:56][CH2:55][n:54]2[c:50](-[c:49]3[s:45][n:46][cH:47][n:48]3)[n:51][n:52][c:53]2[CH2:58]1
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참가 물질

8

반응물 7

HCID 3283Diethyl EtherHCID 57872,4-Dichlorobenzoic AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 66598795
3-(1,2,4-Thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

생성물 1

HCID 665995607-[(2,4-Dichlorophenyl)carbonyl]-3-(1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

출처 및 근거

ORD 기록
ord-f56ff39151224c0cbbc7808f9d0bfa46
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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