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Sodium Ion → 6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-3-[(1-methyl-1H-benzimidazol-2-yl)methyl]dihydro-2H-pyran-2,4(3H)-dione

HRID 86877
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인쇄 미리보기

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HRID 86877 반응식
[CH3:43][O:44][C:45]([OH:46])([O:47][CH3:48])[CH2:49][OH:50].[Cl:1][c:2]1[cH:3][c:4]([CH2:10][CH2:11][C:12]2([CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[CH2:13][C:14](=[O:19])[CH2:15][C:16](=[O:18])[O:17]2)[cH:5][cH:6][c:7]1[O:8][CH3:9].[Cl:31][CH2:32][c:33]1[n:34][c:35]2[c:36]([n:37]1[CH3:38])[cH:39][cH:40][cH:41][cH:42]2.[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[OH2:51]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:10][CH2:11][C:12]2([CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[CH2:13][C:14](=[O:19])[CH:15]([CH2:32][c:33]3[n:34][c:35]4[c:36]([n:37]3[CH3:38])[cH:39][cH:40][cH:41][cH:42]4)[C:16](=[O:18])[O:17]2)[cH:5][cH:6][c:7]1[O:8][CH3:9]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium Ion2회HCID 962WaterHCID 19660Carbonate IonHCID 2480442-(Chloromethyl)-1-methylbenzimidazoleHCID 160761096-(3-chloro-4-methoxyphenethyl)-6-cyclopentyl-dihydro-3H-pyran-2,4-dioneHCID 232067821,1-Dimethoxyethane-1,2-diol

생성물 1

HCID 58762730
6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-3-[(1-methyl-1H-benzimidazol-2-yl)methyl]dihydro-2H-pyran-2,4(3H)-dione

출처 및 근거

ORD 기록
ord-e90d9aec4274436eabb8f7d90228fe58
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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