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Sodium Ion → 4-[(3-benzyloxy-4-methoxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

HRID 1554881
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HRID 1554881 반응식
[C:32]([c:33]1[cH:34][cH:35][c:36]([NH:37][n:38]2[cH:39][n:40][n:41][cH:42]2)[cH:43][cH:44]1)#[N:45].[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]([CH2:12][N:13]([n:14]2[cH:15][n:16][n:17][cH:18]2)[c:19]2[cH:20][cH:21][c:22]([C:25]#[N:26])[cH:23][cH:24]2)[cH:27][cH:28][cH:29]1.[H-:31].[Na+:30].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[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]([CH2:12][N:13]([n:14]2[cH:15][n:16][n:17][cH:18]2)[c:19]2[cH:20][cH:21][c:22]([C:25]#[N:26])[cH:23][cH:24]2)[cH:27][cH:28][c:29]1[O:46][CH3:47]
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반응물 5

HCID 923Sodium IonHCID 6228DimethylformamideHCID 166653HydrideHCID 10307909Benzonitrile, 4-(4H-1,2,4-triazol-4-ylamino)-HCID 219768914-[(3-benzyloxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

생성물 1

HCID 167478434-[(3-benzyloxy-4-methoxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

출처 및 근거

ORD 기록
ord-ad05c315b8d44de1baf9fff9badb7dff
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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