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Sodium Ion → 1,1-dimethylethyl 5-(4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydro-1H-indole-1-carboxylate

HRID 212027
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HRID 212027 반응식
[Br:1][c:2]1[n:3][n:4]([CH3:12])[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[CH3:13][C:14]1([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19][B:20]([c:21]2[cH:22][c:23]3[c:27]([cH:28][cH:29]2)[N:26]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:25][CH2:24]3)[O:37]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:50]>>[c:2]1(-[c:21]2[cH:22][c:23]3[c:27]([cH:28][cH:29]2)[N:26]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:25][CH2:24]3)[n:3][n:4]([CH3:12])[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12
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참가 물질

7

반응물 6

HCID 923Sodium Ion2회HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 127789343-Bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 18451469tert-butyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole-1-carboxylate

생성물 1

HCID 66823718
1,1-dimethylethyl 5-(4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydro-1H-indole-1-carboxylate

출처 및 근거

ORD 기록
ord-531d85e625f847719448b72408a6c12e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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