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Acetic Acid → [7-[(4-Fluorophenyl)methoxy]-2-methyl-1-[(2-methylcyclopropyl)methyl]pyrrolo[2,3-d]pyridazin-3-yl]methyl acetate

HRID 154717
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HRID 154717 반응식
[CH3:49][C:50]([OH:51])=[O:52].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[Ce+4:30].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10][cH:11][c:12]3[c:13]2[n:14]([CH2:19][CH:20]2[CH:21]([CH3:23])[CH2:22]2)[c:15]([CH3:18])[c:16]3[CH3:17])[cH:24][cH:25]1.[N+:26]([O-:27])([O-:28])=[O:29].[N+:32]([O-:33])([O-:34])=[O:35].[N+:36]([O-:37])([O-:38])=[O:39].[N+:40]([O-:41])([O-:42])=[O:43].[N+:44]([O-:45])([O-:46])=[O:47].[NH4+:31].[OH2:48]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10][cH:11][c:12]3[c:13]2[n:14]([CH2:19][CH:20]2[CH:21]([CH3:23])[CH2:22]2)[c:15]([CH3:18])[c:16]3[CH2:17][O:52][C:50]([CH3:49])=[O:51])[cH:24][cH:25]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 223AmmoniumHCID 943Nitrate5회HCID 962WaterHCID 8058HexaneHCID 119438Cerium(4+)HCID 46729167-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-[(2-methylcyclopropyl)methyl]pyrrolo[2,3-d]pyridazine

생성물 1

HCID 10157649[7-[(4-Fluorophenyl)methoxy]-2-methyl-1-[(2-methylcyclopropyl)methyl]pyrrolo[2,3-d]pyridazin-3-yl]methyl acetate

출처 및 근거

ORD 기록
ord-747e8f50f16447568773f1c3edcd825b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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