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Sodium Ion → 3-[({[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]methyl}oxy)methyl]benzonitrile

HRID 2330067
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HRID 2330067 반응식
[Br:27][CH2:28][c:29]1[cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35][cH:36]1.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[H-:37].[Na+:38].[c:1]1([C:7]([n:8]2[n:9][c:10]([CH2:13][OH:14])[n:11][cH:12]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([n:8]2[n:9][c:10]([CH2:13][O:14][CH2:28][c:29]3[cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35][cH:36]3)[n:11][cH:12]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
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HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 97249Benzonitrile, 3-(bromomethyl)-HCID 166653HydrideHCID 13471694(1-trityl-1H-1,2,4-triazol-3-yl)methanol

생성물 1

HCID 667690183-[({[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]methyl}oxy)methyl]benzonitrile

출처 및 근거

ORD 기록
ord-f89da006e44c427f83537e0d611c4d40
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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