Formic Acid → 4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-1-methyl-4-phenylazepane

HRID 209619

반응식

HRID 209619 반응식
[CH:31]([OH:32])=[O:33].[CH:34]([Cl:35])([Cl:36])[Cl:37].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][CH2:8][C:9]2([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:10][CH2:11][NH:12][CH2:13][CH2:14][CH2:15]2)[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][CH2:8][C:9]2([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:10][CH2:11][N:12]([CH3:31])[CH2:13][CH2:14][CH2:15]2)[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30]

참가 물질

4

반응물 3

HCID 284Formic AcidHCID 6212ChloroformHCID 116261604-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-phenylazepane

생성물 1

HCID 219731264-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-1-methyl-4-phenylazepane

출처 및 근거

ORD 기록
ord-9e27a4ef7bd14e13a542f90bb82fa78e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

불러오는 중…