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Acetic Acid → 1-((2,6-Dimethyl-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridine-2-yl)phenyl)methyl)-azetidine-3-carboxylic acid

HRID 306621
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인쇄 미리보기

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HRID 306621 반응식
[C:40]([BH3-:41])#[N:42].[CH3:1][c:2]1[c:3]([CH:4]=[O:5])[c:6]([CH3:28])[cH:7][c:8](-[c:10]2[s:11][c:12]3[n:13][c:14]([C:19]4([c:22]5[cH:23][cH:24][cH:25][cH:26][cH:27]5)[CH2:20][CH2:21]4)[cH:15][cH:16][c:17]3[n:18]2)[cH:9]1.[CH3:36][C:37](=[O:38])[OH:39].[CH3:47][OH:48].[Cl:44][CH2:45][Cl:46].[NH:29]1[CH2:30][CH:31]([C:33](=[O:34])[OH:35])[CH2:32]1.[Na+:43]>>[CH3:1][c:2]1[c:3]([CH2:4][N:29]2[CH2:30][CH:31]([C:33](=[O:34])[OH:35])[CH2:32]2)[c:6]([CH3:28])[cH:7][c:8](-[c:10]2[s:11][c:12]3[n:13][c:14]([C:19]4([c:22]5[cH:23][cH:24][cH:25][cH:26][cH:27]5)[CH2:20][CH2:21]4)[cH:15][cH:16][c:17]3[n:18]2)[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 6344DichloromethaneHCID 931923-azetidinecarboxylic AcidHCID 498716Cyano-borohydrideHCID 866387112,6-Dimethyl-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridine-2-yl)benzaldehyde

생성물

1
HCID 446009511-((2,6-Dimethyl-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridine-2-yl)phenyl)methyl)-azetidine-3-carboxylic acid

출처 및 근거

ORD 기록
ord-66a171517f834746bcecced4a82adb06
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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