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Hydrochloric Acid → 2-(4-cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)-N,N-dimethylacetamide

HRID 2143044
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반응식

HRID 2143044 반응식
[C:15](#[N:16])[c:17]1[c:18]([CH3:40])[c:19](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:20]([CH2:29][C:30]([O:32][CH3:31])=[O:33])[c:21]2[c:22]1[n:23][c:24]([CH:26]1[CH2:27][CH2:28]1)[o:25]2.[CH3:12][NH:13][CH3:14].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:7][Al:8]([CH3:9])[CH3:10].[ClH:11].[ClH:41]>>[CH3:12][N:13]([CH3:14])[C:30]([CH2:29][c:20]1[c:19](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:18]([CH3:40])[c:17]([C:15]#[N:16])[c:22]2[c:21]1[o:25][c:24]([CH:26]1[CH2:27][CH2:28]1)[n:23]2)=[O:32]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric Acid2회HCID 674DimethylamineHCID 1140TolueneHCID 8058HexaneHCID 16682925TrimethylaluminumHCID 86630881Methyl (4-cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)acetate

생성물 1

HCID 68587563
2-(4-cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)-N,N-dimethylacetamide

출처 및 근거

ORD 기록
ord-7585a42733774320b449e271079d3989
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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