Hydrochloric Acid → Isoindolin-5-yl(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl)methanone

반응식

[CH3:37][OH:38].[ClH:1].[n:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][C:11]3([CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]4[cH:20][c:21]5[c:25]([cH:26][cH:27]4)[CH2:24][N:23]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:22]5)[CH2:15][CH2:16]3)[CH2:35][CH2:36]2)[cH:6][cH:7]1>>[n:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][C:11]3([CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]4[cH:20][c:21]5[c:25]([cH:26][cH:27]4)[CH2:24][NH:23][CH2:22]5)[CH2:15][CH2:16]3)[CH2:35][CH2:36]2)[cH:6][cH:7]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 59483841tert-Butyl 5-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)isoindoline-2-carboxylate

생성물 1

HCID 59483811Isoindolin-5-yl(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl)methanone

출처 및 근거

ORD 기록: ord-89b09d4b7c83438ba0eaf96952db06be
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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