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Bicarbonate Ion → 1-(2-(6-phenethyloxy-2-pyridin-2-yl-3-(2-trimethylsilanyl-ethoxymethyl)-3H-benzimidazol-5-yl)-pyrrolidin-1-yl)-ethanone

HRID 107525
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HRID 107525 반응식
[C:68](=[O:69])([OH:70])[O-:71].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Na+:72].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[OH:36][c:37]1[c:38]([CH:60]2[N:61]([C:65]([CH3:66])=[O:67])[CH2:62][CH2:63][CH2:64]2)[cH:39][c:40]2[c:41]([n:42][c:43](-[c:53]3[n:54][cH:55][cH:56][cH:57][cH:58]3)[n:44]2[CH2:45][O:46][CH2:47][CH2:48][Si:49]([CH3:50])([CH3:51])[CH3:52])[cH:59]1.[c:27]1([CH2:33][CH2:34][OH:35])[cH:28][cH:29][cH:30][cH:31][cH:32]1.[c:8]1([P:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[c:27]1([CH2:33][CH2:34][O:35][c:37]2[c:38]([CH:60]3[N:61]([C:65]([CH3:66])=[O:67])[CH2:62][CH2:63][CH2:64]3)[cH:39][c:40]3[c:41]([n:42][c:43](-[c:53]4[n:54][cH:55][cH:56][cH:57][cH:58]4)[n:44]3[CH2:45][O:46][CH2:47][CH2:48][Si:49]([CH3:50])([CH3:51])[CH3:52])[cH:59]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 60542-PhenylethanolHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 231452771-(2-(6-hydroxy-2-pyridin-2-yl-3-(2-trimethylsilanyl-ethoxymethyl)-3H-benzimidazol-5-yl)-pyrrolidin-1-yl)-ethanone

생성물 1

HCID 231455911-(2-(6-phenethyloxy-2-pyridin-2-yl-3-(2-trimethylsilanyl-ethoxymethyl)-3H-benzimidazol-5-yl)-pyrrolidin-1-yl)-ethanone

출처 및 근거

ORD 기록
ord-e48ebf469a264f8eb036a6364bf8b0d4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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