Dichloromethane → MK 767 metabolite M16

HRID 2320248노트

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HRID 2320248 반응식
[C:1]([NH2:2])(=[O:3])[CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:26][CH3:27])[c:10]([C:11](=[O:12])[NH:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[cH:25]1)[S:28][CH3:29].[CH2:41]([Cl:42])[Cl:43].[OH:30][O:31][C:32]([c:33]1[cH:34][c:35]([Cl:36])[cH:37][cH:38][cH:39]1)=[O:40]>>[C:1]([NH2:2])(=[O:3])[CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:26][CH3:27])[c:10]([C:11](=[O:12])[NH:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[cH:25]1)[S:28]([CH3:29])=[O:30]

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 99103294-Methoxy-alpha-(methylthio)-3-((((4-(trifluoromethyl)phenyl)methyl)amino)carbonyl)benzenepropanamide

생성물 1

HCID 9955002MK 767 metabolite M16

출처 및 근거

ORD 기록
ord-dec6cb8d293a46c1828c7e4efff647f2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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