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Dichloromethane → 3-Acetyl-6-bromo-4-phenylisochromen-1-one

HRID 1152848
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반응식

HRID 1152848 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:5](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:6]([C:13](=[O:14])[OH:15])[o:7][c:8](=[O:9])[c:10]2[cH:11][cH:12]1.[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:22][C:23]1([CH3:24])[O:25][C:26](=[O:27])[CH2:28][C:29](=[O:30])[O:31]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:50][N:51]([CH3:52])[c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1.[Cl:59][CH2:60][Cl:61]>>[Br:1][c:2]1[cH:3][c:4]2[c:5](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:6]([C:13](=[O:14])[CH3:22])[o:7][c:8](=[O:9])[c:10]2[cH:11][cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 162492,2-Dimethyl-1,3-dioxane-4,6-dioneHCID 230607776-Bromo-4-phenyl-3-isocoumarincarboxylic acid

생성물 1

HCID 23060529
3-Acetyl-6-bromo-4-phenylisochromen-1-one

출처 및 근거

ORD 기록
ord-08c46ee5817b4374abe26a9777f417f4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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