Hydrochloric Acid → (3aRS,4SR,9aSR)-3a,4,9,9a-tetrahydro-4-phenyl-benz[f]isoindoline-2-propionic acid

HRID 317561

반응식

HRID 317561 반응식
[CH3:1][O:2][C:3]([CH2:4][CH2:5][N:6]1[CH2:7][CH:8]2[CH:9]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:10]3[c:11]([cH:15][cH:16][cH:17][cH:18]3)[CH2:12][CH:13]2[CH2:14]1)=[O:25].[ClH:26].[c:27]1([S:28]([OH:29])(=[O:30])=[O:31])[c:32]2[cH:33][cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[c:41]2[cH:42][cH:43][cH:44]1>>[O:2]=[C:3]([CH2:4][CH2:5][N:6]1[CH2:7][CH:8]2[CH:9]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:10]3[c:11]([cH:15][cH:16][cH:17][cH:18]3)[CH2:12][CH:13]2[CH2:14]1)[OH:25]

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 66661,5-Naphthalenedisulfonic acidHCID 70609075(3aRS,4SR,9aSR)-3a,4,9,9a-tetrahydro-4-phenyl-benz[f]isoindoline-2-propionic acid methyl ester

생성물 1

HCID 70610061(3aRS,4SR,9aSR)-3a,4,9,9a-tetrahydro-4-phenyl-benz[f]isoindoline-2-propionic acid

출처 및 근거

ORD 기록
ord-bc1d320c285c41558314b50479500ed5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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