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Sodium Ion → 4-(1-(5-Hydroxymethylfur-2-ylmethyl)-1H-benzimidazol-2-yl)[1,4]diazepane

HRID 2342069
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HRID 2342069 반응식
[CH2:1]([O:2][C:3](=[O:4])[N:6]1[CH2:7][CH2:8][N:9]([c:13]2[n:14][c:15]3[c:16]([n:17]2[CH2:18][c:19]2[o:20][c:21]([CH2:24][OH:25])[cH:22][cH:23]2)[cH:26][cH:27][cH:28][cH:29]3)[CH2:10][CH2:11][CH2:12]1)[CH3:5].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[CH:38]([OH:39])([CH3:40])[CH3:41].[Na+:31].[OH-:30]>>[NH:6]1[CH2:7][CH2:8][N:9]([c:13]2[n:14][c:15]3[c:16]([n:17]2[CH2:18][c:19]2[o:20][c:21]([CH2:24][OH:25])[cH:22][cH:23]2)[cH:26][cH:27][cH:28][cH:29]3)[CH2:10][CH2:11][CH2:12]1
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반응물 5

HCID 923Sodium IonHCID 961HydroxideHCID 3776IsopropanolHCID 8857Ethyl AcetateHCID 184645131-ethoxycarbonyl-4-(1-(5-hydroxymethylfur-2-ylmethyl)-1H-benzimidazol-2-yl)[1,4]diazepane

생성물 1

HCID 184649364-(1-(5-Hydroxymethylfur-2-ylmethyl)-1H-benzimidazol-2-yl)[1,4]diazepane

출처 및 근거

ORD 기록
ord-a004b2409e444554941369be2125e725
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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