Hydrochloric Acid → 4a-Ethyl-2-(4-fluorophenyl)-7-[(2-methyl-3-pyridinyl)methoxy]-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol

HRID 201143

반응식

HRID 201143 반응식
[CH2:1]([CH3:2])[C:3]12[CH2:4][CH:5]([OH:26])[C:6]([OH:18])([c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[CH2:7][CH:8]1[CH2:9][CH2:10][c:11]1[cH:12][c:13]([OH:17])[cH:14][cH:15][c:16]12.[Cl:28][CH2:29][c:30]1[c:31]([CH3:36])[n:32][cH:33][cH:34][cH:35]1.[ClH:27]>>[CH2:1]([CH3:2])[C:3]12[CH2:4][CH:5]([OH:26])[C:6]([OH:18])([c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[CH2:7][CH:8]1[CH2:9][CH2:10][c:11]1[cH:12][c:13]([O:17][CH2:29][c:30]3[c:31]([CH3:36])[n:32][cH:33][cH:34][cH:35]3)[cH:14][cH:15][c:16]12

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 122437113-(Chloromethyl)-2-methylpyridineHCID 218832954a-Ethyl-2-(4-fluorophenyl)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol

생성물 1

HCID 218832984a-Ethyl-2-(4-fluorophenyl)-7-[(2-methyl-3-pyridinyl)methoxy]-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol

출처 및 근거

ORD 기록
ord-012789341b5443a9b458eb2d79b7e61a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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