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Hydrochloric Acid → HCID 22262076, 화합물

HRID 208085
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HRID 208085 반응식
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([C:12](=[O:13])[OH:14])[c:11]12.[C:44](=[O:45])([O-:46])[OH:47].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[ClH:21].[F:22][c:23]1[cH:24][cH:25][c:26]([CH:29]([CH:30]([CH2:31][c:32]2[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]2)[NH2:42])[OH:43])[cH:27][cH:28]1.[Na+:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:54]>>[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([C:12](=[O:14])[NH:42][CH:30]([CH:29]([c:26]3[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]3)[OH:43])[CH2:31][c:32]3[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]3)[c:11]12
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 65578Oxalyl chlorideHCID 728738-Bromo-1-naphthoic acid
HCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

생성물 1

HCID 22262076HCID 22262076, 화합물

출처 및 근거

ORD 기록
ord-ebebea58ab264d51afe7b7566509fa8f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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