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Methanol → tert-butyl 4-(1-(4-methoxybenzyl)-3-(1-(4-methoxybenzyl)-5-oxopyrrolidin-3-ylamino)-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazine-1-carboxylate

HRID 1230969
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HRID 1230969 반응식
[CH3:39][O:40][c:41]1[cH:42][cH:43][c:44]([CH2:45][N:46]2[C:47](=[O:52])[CH2:48][C:49](=[O:51])[CH2:50]2)[cH:53][cH:54]1.[CH3:55][OH:56].[Cl:57][CH2:58][Cl:59].[NH2:1][c:2]1[n:3][n:4]([CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[c:5]2[n:6][cH:7][c:8](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:9]([N:11]3[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]3)[c:10]12>>[NH:1]([c:2]1[n:3][n:4]([CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[c:5]2[n:6][cH:7][c:8](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:9]([N:11]3[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]3)[c:10]12)[CH:49]1[CH2:48][C:47](=[O:52])[N:46]([CH2:45][c:44]2[cH:43][cH:42][c:41]([O:40][CH3:39])[cH:54][cH:53]2)[CH2:50]1
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참가 물질

5

반응물 4

HCID 887MethanolHCID 6344DichloromethaneHCID 111953461-(4-Methoxybenzyl)pyrrolidine-2,4-dioneHCID 68735560tert-butyl 4-(3-amino-1-(4-methoxybenzyl)-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazine-1-carboxylate

생성물 1

HCID 68765517tert-butyl 4-(1-(4-methoxybenzyl)-3-(1-(4-methoxybenzyl)-5-oxopyrrolidin-3-ylamino)-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-473ded71efbb440b9eaab63b5fe23914
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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