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Dimethylformamide → ethyl 4-[4-[1-[[2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]benzoate

HRID 113890
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HRID 113890 반응식
[CH3:1][NH:2][CH:3]([CH2:4][N:5]1[CH2:6][CH2:7][O:8][CH2:9][CH2:10]1)[c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:21][cH:22]2)[cH:15][cH:16]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:28][c:29]1[c:30]([Cl:44])[cH:31][c:32]2[c:33]([cH:43]1)[N:34]([CH2:39][C:40](=[O:41])[OH:42])[C:35](=[O:38])[CH2:36][O:37]2.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[CH3:1][N:2]([CH:3]([CH2:4][N:5]1[CH2:6][CH2:7][O:8][CH2:9][CH2:10]1)[c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:21][cH:22]2)[cH:15][cH:16]1)[C:40]([CH2:39][N:34]1[c:33]2[c:32]([cH:31][c:30]([Cl:44])[c:29]([Cl:28])[cH:43]2)[O:37][CH2:36][C:35]1=[O:38])=[O:42]
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반응물 4

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 574888462-(6,7-Dichloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)acetic acidHCID 76542579Ethyl 4-[4-[1-(methylamino)-2-morpholin-4-ylethyl]phenyl]benzoate

생성물 1

HCID 178468727ethyl 4-[4-[1-[[2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]benzoate

출처 및 근거

ORD 기록
ord-07a1a1860f834eed9bbc53bf24e37cb2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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