1-Ethyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione → 5-Ethyl-1-isopropyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)-2,4,6(1h,3h,5h)-pyrimidinetrione

HRID 1216190

반응식

HRID 1216190 반응식
[CH2:16]([N:17]1[C:18](=[O:19])[C:20]([CH3:21])([N:22]2[C:26](=[O:39])[c:27]3[c:28]([F:38])[c:29]([F:37])[c:30]([F:36])[c:31]([F:35])[c:32]3[C:33]2=[O:34])[C:23](=[O:24])[NH:25][C:40]1=[O:41])[CH3:42].[NH2:1][C:2]1([CH2:14][CH3:15])[C:3](=[O:13])[NH:4][C:5](=[O:12])[N:6]([CH:9]([CH3:10])[CH3:11])[C:7]1=[O:8]>>[N:1]1([C:2]2([CH2:14][CH3:15])[C:3](=[O:13])[NH:4][C:5](=[O:12])[N:6]([CH:9]([CH3:10])[CH3:11])[C:7]2=[O:8])[C:26](=[O:39])[c:27]2[c:28]([F:38])[c:29]([F:37])[c:30]([F:36])[c:31]([F:35])[c:32]2[C:33]1=[O:34]

참가 물질

3

반응물 2

HCID 247656681-Ethyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrioneHCID 668107735-Amino-5-ethyl-1-isopropylbarbituric acid

생성물 1

HCID 247657625-Ethyl-1-isopropyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)-2,4,6(1h,3h,5h)-pyrimidinetrione

출처 및 근거

ORD 기록
ord-d8c70529b67c451f8a53ac21cb3068d8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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