Toluene → HCID 12733838, 화합물

HRID 1130721노트

반응식

HRID 1130721 반응식
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([F:12])[cH:7][cH:8][c:9]([NH2:11])[cH:10]1.[CH2:13]([O:14][CH:16]=[C:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH3:15].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([F:12])[cH:7][cH:8][c:9]([NH:11][CH:16]=[C:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:10]1

참가 물질

4

반응물 3

HCID 1140TolueneHCID 6871Diethyl (ethoxymethylene)malonateHCID 12733834N-(5-amino-2-fluorophenyl)acetamide(SALTDATA: 0.95HCl 0.8H2O)

생성물 1

HCID 12733838HCID 12733838, 화합물

출처 및 근거

ORD 기록
ord-d6510d7b9083489a829dacee76a19fa6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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