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Water → 3-{1-[(3,5-dichlorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 1222220
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HRID 1222220 반응식
[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:21][c:22]1[cH:23][c:24]([CH2:29][C:30](=[O:31])[OH:32])[cH:25][c:26]([Cl:28])[cH:27]1.[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21.[OH2:66].[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[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[N:1]1([C:30]([CH2:29][c:24]2[cH:23][c:22]([Cl:21])[cH:27][c:26]([Cl:28])[cH:25]2)=[O:31])[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21
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참가 물질

7

반응물 6

HCID 962WaterHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 64524872-(3,5-Dichlorophenyl)acetic acidHCID 668235513-(2,3-dihydro-1H-indol-5-yl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

생성물 1

HCID 534676153-{1-[(3,5-dichlorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

출처 및 근거

ORD 기록
ord-1ba3413d94734c8aae2b192744d7f783
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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