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Hydrochloric Acid → (3aRS,7aRS)-7,7-bis(2-fluorophenyl)-2-[(2-dimethylaminophenyl)acetyl]perhydro-4-isoindolone

HRID 164474
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반응식

HRID 164474 반응식
[CH3:1][N:2]([c:3]1[c:4]([CH2:9][C:10](=[O:11])[OH:12])[cH:5][cH:6][cH:7][cH:8]1)[CH3:13].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:46][CH2:47][Cl:48].[ClH:14].[F:15][c:16]1[c:17]([C:22]2([c:32]3[c:33]([F:38])[cH:34][cH:35][cH:36][cH:37]3)[CH2:23][CH2:24][C:25](=[O:31])[CH:26]3[CH2:27][NH:28][CH2:29][CH:30]23)[cH:18][cH:19][cH:20][cH:21]1>>[CH3:1][N:2]([c:3]1[c:4]([CH2:9][C:10](=[O:12])[N:28]2[CH2:27][CH:26]3[C:25](=[O:31])[CH2:24][CH2:23][C:22]([c:17]4[c:16]([F:15])[cH:21][cH:20][cH:19][cH:18]4)([c:32]4[c:33]([F:38])[cH:34][cH:35][cH:36][cH:37]4)[CH:30]3[CH2:29]2)[cH:5][cH:6][cH:7][cH:8]1)[CH3:13]
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 98187837,7-bis(2-fluorophenyl)-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-oneHCID 204661092-(2-(Dimethylamino)phenyl)acetic acid

생성물 1

HCID 67916112(3aRS,7aRS)-7,7-bis(2-fluorophenyl)-2-[(2-dimethylaminophenyl)acetyl]perhydro-4-isoindolone

출처 및 근거

ORD 기록
ord-afdbe0d2ecb346c8a7d8078a12ddde7f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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