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Sodium Ion → 1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimethylphenyl)-3-{2-[(4-pyridin-4-yl-butyl)-(2-pyridin-3-yl-ethyl)amino]ethyl}-1H-indol-5-yl)-2-methylpropan-1-one

HRID 137245
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HRID 137245 반응식
[C:52]([BH3-:53])#[N:54].[CH:12]12[CH2:13][CH2:14][CH:15]([CH2:16][CH2:17]1)[N:18]2[C:19]([C:20]([CH3:21])([CH3:22])[c:23]1[cH:24][c:25]2[c:26]([CH2:40][CH2:41][NH:42][CH2:43][CH2:44][c:45]3[cH:46][n:47][cH:48][cH:49][cH:50]3)[c:27](-[c:32]3[cH:33][c:34]([CH3:39])[cH:35][c:36]([CH3:38])[cH:37]3)[nH:28][c:29]2[cH:30][cH:31]1)=[O:51].[Na+:55].[n:1]1[cH:2][cH:3][c:4]([CH2:7][CH2:8][CH2:9][CH:10]=[O:11])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([CH2:7][CH2:8][CH2:9][CH2:10][N:42]([CH2:41][CH2:40][c:26]2[c:25]3[cH:24][c:23]([C:20]([C:19]([N:18]4[CH:12]5[CH2:13][CH2:14][CH:15]4[CH2:16][CH2:17]5)=[O:51])([CH3:21])[CH3:22])[cH:31][cH:30][c:29]3[nH:28][c:27]2-[c:32]2[cH:33][c:34]([CH3:39])[cH:35][c:36]([CH3:38])[cH:37]2)[CH2:43][CH2:44][c:45]2[cH:46][n:47][cH:48][cH:49][cH:50]2)[cH:5][cH:6]1
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참가 물질

5

반응물 4

HCID 923Sodium IonHCID 498716Cyano-borohydrideHCID 114464344-Pyridin-4-ylbutanalHCID 221206711-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[2-(2-pyridin-3-yl-ethylamino)-ethyl]-1H-indol-5-yl)-2-methylpropan-1-one

생성물 1

HCID 221206761-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimethylphenyl)-3-{2-[(4-pyridin-4-yl-butyl)-(2-pyridin-3-yl-ethyl)amino]ethyl}-1H-indol-5-yl)-2-methylpropan-1-one

출처 및 근거

ORD 기록
ord-e7b84d184c464816bd54b4e8277134e8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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