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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → methyl 4-({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)-4-oxobutanoate

HRID 296276
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HRID 296276 반응식
[C:24]([CH2:25][CH2:26][C:27](=[O:28])[O-:29])(=[O:30])[O:31][CH3:32].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[Cl:64][CH2:65][Cl:66].[ClH:1].[NH2:2][CH2:3][c:4]1[c:5]([NH:17][CH:18]2[CH2:19][CH2:20][O:21][CH2:22][CH2:23]2)[c:6]2[c:7]([n:8][c:9]1[CH2:10][CH3:11])[n:12]([CH2:15][CH3:16])[n:13][cH:14]2.[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[NH:2]([CH2:3][c:4]1[c:5]([NH:17][CH:18]2[CH2:19][CH2:20][O:21][CH2:22][CH2:23]2)[c:6]2[c:7]([n:8][c:9]1[CH2:10][CH3:11])[n:12]([CH2:15][CH3:16])[n:13][cH:14]2)[C:27]([CH2:26][CH2:25][C:24](=[O:30])[O:31][CH3:32])=[O:28]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 6930703Mono-Methyl SuccinateHCID 596832145-(Aminomethyl)-1,6-diethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine

생성물 1

HCID 57819885methyl 4-({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)-4-oxobutanoate

출처 및 근거

ORD 기록
ord-7807a8885d0f40c3b14af9c096db7e0c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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