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Methanol → 2-(3-(benzyloxy)-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid

HRID 2349904
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HRID 2349904 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([N:17]2[N:18]=[C:19]3[c:20]4[c:21]([cH:31][c:32]([C:35](=[O:36])[O:37][CH3:38])[cH:33][cH:34]4)[CH2:22][CH2:23][CH:24]3[CH:25]2[CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:12][cH:13][c:14]1[C:15]#[N:16].[CH3:46][OH:47].[Na+:45].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([N:17]2[N:18]=[C:19]3[c:20]4[c:21]([cH:31][c:32]([C:35](=[O:36])[OH:37])[cH:33][cH:34]4)[CH2:22][CH2:23][CH:24]3[CH:25]2[CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:12][cH:13][c:14]1[C:15]#[N:16]
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반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 66722631methyl 2-(3-(benzyloxy)-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylate

생성물 1

HCID 667228752-(3-(benzyloxy)-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid

출처 및 근거

ORD 기록
ord-f44921e0f1cd4a08947b3d080afc1a0c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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