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Hydrochloric Acid → Methyl 1-((3-nitro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridine-2-yl)phenyl)methyl)azetidine-3-carboxylate

HRID 151727
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HRID 151727 반응식
[Br:1][CH2:2][c:3]1[cH:4][c:5]([N+:27](=[O:28])[O-:29])[c:6](-[c:9]2[s:10][c:11]3[n:12][c:13]([C:18]4([c:21]5[cH:22][cH:23][cH:24][cH:25][cH:26]5)[CH2:19][CH2:20]4)[cH:14][cH:15][c:16]3[n:17]2)[cH:7][cH:8]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:30].[NH:31]1[CH2:32][CH:33]([C:35](=[O:36])[O:37][CH3:38])[CH2:34]1.[Na+:52].[O-:48][C:49]([OH:50])=[O:51].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[CH2:2]([c:3]1[cH:4][c:5]([N+:27](=[O:28])[O-:29])[c:6](-[c:9]2[s:10][c:11]3[n:12][c:13]([C:18]4([c:21]5[cH:22][cH:23][cH:24][cH:25][cH:26]5)[CH2:19][CH2:20]4)[cH:14][cH:15][c:16]3[n:17]2)[cH:7][cH:8]1)[N:31]1[CH2:32][CH:33]([C:35](=[O:36])[O:37][CH3:38])[CH2:34]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 20132751Methyl azetidine-3-carboxylateHCID 671118432-(4-(Bromomethyl)-2-nitrophenyl)-5-(1-phenylcyclopropyl)-thiazolo[5,4-b]pyridine

생성물 1

HCID 67112881Methyl 1-((3-nitro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridine-2-yl)phenyl)methyl)azetidine-3-carboxylate

출처 및 근거

ORD 기록
ord-5637a32f23db45239e5576bcc0a2c564
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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