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Dichloromethane → Ethanone, 2-[4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-1H-imidazol-1-yl]carbonyl]-1-piperazinyl]-1-(4-morpholinyl)-

HRID 146213
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HRID 146213 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:33][CH2:34][CH3:35])[c:8]([C:11]2=[N:15][CH:14]([c:16]3[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)[CH:13]([c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[N:12]2[C:30](=[O:31])[Cl:32])[cH:9][cH:10]1.[CH2:58]([Cl:59])[Cl:60].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[O:43]1[CH2:44][CH2:45][N:46]([C:49]([CH2:50][N:51]2[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]2)=[O:57])[CH2:47][CH2:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:33][CH2:34][CH3:35])[c:8]([C:11]2=[N:15][CH:14]([c:16]3[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)[CH:13]([c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[N:12]2[C:30](=[O:31])[N:54]2[CH2:53][CH2:52][N:51]([CH2:50][C:49]([N:46]3[CH2:45][CH2:44][O:43][CH2:48][CH2:47]3)=[O:57])[CH2:56][CH2:55]2)[cH:9][cH:10]1
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참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 1006221-(Morpholinocarbonylmethyl)piperazineHCID 87323557Racemic-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dihydro-imidazole-1-carbonyl chloride

생성물 1

HCID 53401024Ethanone, 2-[4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-1H-imidazol-1-yl]carbonyl]-1-piperazinyl]-1-(4-morpholinyl)-

출처 및 근거

ORD 기록
ord-e35af6d614eb4a84971940a5a7690b8b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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