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Citric Acid → (2-Ethyl-6-trifluoromethyl-1,2,3,4-tetrahydro-quinolin-4-yl)-carbamic acid benzyl ester

HRID 1573117
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인쇄 미리보기

반응식

HRID 1573117 반응식
[BH4-:29].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][C:11]([CH2:12][CH:13]([CH2:14][CH3:15])[NH:16][c:17]1[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]1)=[O:27])=[O:28].[CH2:47]([Cl:48])[Cl:49].[CH3:50][CH2:51][OH:52].[ClH:32].[Mg:31].[Na+:30].[OH2:46].[OH:33][C:34]([CH2:35][C:36]([C:37](=[O:38])[OH:39])([CH2:40][C:41](=[O:42])[OH:43])[OH:44])=[O:45]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]1[CH2:12][CH:13]([CH2:14][CH3:15])[NH:16][c:17]2[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][c:22]21)=[O:28]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 311Citric AcidHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 962WaterHCID 6344DichloromethaneHCID 28123BorohydrideHCID 5462224Magnesium
HCID 69328092
benzyl N-[3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate

생성물 1

HCID 57239182(2-Ethyl-6-trifluoromethyl-1,2,3,4-tetrahydro-quinolin-4-yl)-carbamic acid benzyl ester

출처 및 근거

ORD 기록
ord-693f33c9e443460499ae06dd3e915b30
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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