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Hydrochloric Acid → 4,4-Diphenyl-2-formyl-3-(nitromethyl)cyclohexanone

HRID 135894
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HRID 135894 반응식
[CH2:27]([N+:28]([CH3:29])([CH3:30])[CH3:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:44][C:45]([OH:46])([CH3:47])[CH3:48].[CH3:49][OH:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[ClH:38].[N+:22](=[O:23])([O-:24])[CH3:25].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:26].[OH2:57].[c:1]1([C:7]2([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH:8]=[C:9]([CH:14]=[O:15])[C:10](=[O:13])[CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH:8]([CH2:25][N+:22](=[O:23])[O-:24])[CH:9]([CH:14]=[O:15])[C:10](=[O:13])[CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 5964BenzyltrimethylammoniumHCID 6375NitromethaneHCID 6386tert-ButanolHCID 8028Tetrahydrofuran
HCID 8857
Ethyl Acetate
HCID 537947534,4-Diphenyl-2-formyl-2-cyclohexen-1-one

생성물 1

HCID 540830574,4-Diphenyl-2-formyl-3-(nitromethyl)cyclohexanone

출처 및 근거

ORD 기록
ord-4891ae97fd3945cfaf656648597b1ce7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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