Hydrochloric Acid → 5-N,5-N-dimethyl-2-N-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-yl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine

HRID 195200

반응식

HRID 195200 반응식
[C:32](=[O:33])([O-:34])[O-:35].[CH3:1][N:2]([c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[s:9][c:10]([N:12]=[C:13]([S:14][CH3:15])[S:16][CH3:17])[n:11]2)[CH3:18].[ClH:19].[ClH:20].[Cs+:36].[Cs+:37].[NH2:21][CH2:22][C:23]1([OH:31])[CH2:24][N:25]2[CH2:26][CH2:27][CH:28]1[CH2:29][CH2:30]2.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:38]>>[CH3:1][N:2]([c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[s:9][c:10]([NH:12][C:13]1=[N:21][CH2:22][C:23]3([CH2:24][N:25]4[CH2:26][CH2:27][CH:28]3[CH2:29][CH2:30]4)[O:31]1)[n:11]2)[CH3:18]

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 147899783-(Aminomethyl)quinuclidin-3-olHCID 58088064Dimethyl (5-(dimethylamino)thiazolo[5,4-d]pyrimidin-2-yl)carbonimidodithioate

생성물 1

HCID 766634335-N,5-N-dimethyl-2-N-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-yl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine

출처 및 근거

ORD 기록
ord-fed89b943f13408baf24910e003d1e2c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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