Hydrochloric Acid → 5-Ethyl-1-propyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 24765764HCID 24765764, 화합물

HCID 66811201HCID 66811201, 화합물

생성물 1

HCID 247656675-Ethyl-1-propyl-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-8df445e1115c41fc90f32f7a3d9195b6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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