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Sodium Ion → 4-[(3-(tetrahydropyran-2-yloxy)-4-bromobenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

HRID 2143518
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HRID 2143518 반응식
[Br:46][c:47]1[c:48]([O:55][CH:56]2[O:57][CH2:58][CH2:59][CH2:60][CH2:61]2)[cH:49][c:50]([CH2:51][Br:52])[cH:53][cH:54]1.[C:32](#[N:33])[c:34]1[cH:35][cH:36][c:37]([NH:40][n:41]2[cH:42][n:43][n:44][cH:45]2)[cH:38][cH:39]1.[CH2:1]([O:2][c:3]1[cH:4][c:5]([CH2:9][N:10]([c:11]2[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]2)[n:19]2[cH:20][n:21][n:22][cH:23]2)[cH:6][cH:7][cH:8]1)[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[H-:31].[Na+:30].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66]>>[C:32](#[N:33])[c:34]1[cH:35][cH:36][c:37]([N:40]([n:41]2[cH:42][n:43][n:44][cH:45]2)[CH2:51][c:50]2[cH:49][c:48]([O:55][CH:56]3[O:57][CH2:58][CH2:59][CH2:60][CH2:61]3)[c:47]([Br:46])[cH:54][cH:53]2)[cH:38][cH:39]1
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참가 물질

8

반응물 7

HCID 923Sodium IonHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 10307909Benzonitrile, 4-(4H-1,2,4-triazol-4-ylamino)-HCID 167478424-Bromo-3-(tetrahydropyran-2-yloxy)benzyl bromideHCID 219768914-[(3-benzyloxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

생성물 1

HCID 167493314-[(3-(tetrahydropyran-2-yloxy)-4-bromobenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

출처 및 근거

ORD 기록
ord-d05d25f9a8e145bcae426db42782f264
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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