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Acetone → Diethyl 2-[(2-benzoyl-4-chlorophenyl)diazenyl]-2-[(2-chloroacetyl)amino]propanedioate

HRID 1216761
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HRID 1216761 반응식
[C:38](=[O:39])([O-:40])[O-:41].[CH2:22]([CH3:23])[O:24][C:25]([CH:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[NH:32][C:33]([CH2:34][Cl:35])=[O:36])=[O:37].[CH3:46][C:47](=[O:48])[CH3:49].[Cl-:45].[ClH:17].[K+:42].[K+:43].[N:18]([O-:19])=[O:20].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]([Cl:16])[cH:14][cH:15]1.[Na+:21].[Na+:44].[OH2:50].[cH:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[N:1]([c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]([Cl:16])[cH:14][cH:15]1)=[N:18][C:26]([C:25]([O:24][CH2:22][CH3:23])=[O:37])([C:27](=[O:28])[O:29][CH2:30][CH3:31])[NH:32][C:33]([CH2:34][Cl:35])=[O:36]
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 180AcetoneHCID 241BenzeneHCID 312ChlorideHCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 923Sodium Ion2회HCID 946NitriteHCID 962Water
HCID 12870
2-Amino-5-chlorobenzophenone
HCID 19660Carbonate Ion
HCID 243559Diethyl (2-chloroacetamido)propanedioate

생성물 1

HCID 53745020Diethyl 2-[(2-benzoyl-4-chlorophenyl)diazenyl]-2-[(2-chloroacetyl)amino]propanedioate

출처 및 근거

ORD 기록
ord-93adbbbc9efe49289d3b1bf8665d14d7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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