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Acetone → Ethyl 4'-(3-dimethylaminopropoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)biphenyl-4-carboxylate

HRID 2319545
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HRID 2319545 반응식
[C:9](=[O:10])([O-:11])[O-:12].[CH3:2][N:3]([CH2:4][CH2:5][CH2:6][Cl:7])[CH3:8].[CH3:48][C:49](=[O:50])[CH3:51].[ClH:1].[K+:13].[K+:14].[OH2:47].[OH:15][c:16]1[c:17](-[c:33]2[cH:34][c:35]3[c:40]([cH:41][cH:42]2)[C:39]([CH3:43])([CH3:44])[CH2:38][CH2:37][C:36]3([CH3:45])[CH3:46])[cH:18][c:19](-[c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:26][cH:27]2)[cH:20][cH:21]1>>[CH3:2][N:3]([CH2:4][CH2:5][CH2:6][O:15][c:16]1[c:17](-[c:33]2[cH:34][c:35]3[c:40]([cH:41][cH:42]2)[C:39]([CH3:43])([CH3:44])[CH2:38][CH2:37][C:36]3([CH3:45])[CH3:46])[cH:18][c:19](-[c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:26][cH:27]2)[cH:20][cH:21]1)[CH3:8]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 669603-Chloro-N,N-dimethyl-1-propanamineHCID 57552328Ethyl 4'-hydroxy-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)biphenyl-4-carboxylate

생성물 1

HCID 11306847Ethyl 4'-(3-dimethylaminopropoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)biphenyl-4-carboxylate

출처 및 근거

ORD 기록
ord-a02741e9b1204c7fb93fd47e6f4fafdf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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