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Hydrochloric Acid → 5-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-methoxy-1-methyl-1H-pyrrole-3-carboxamide

HRID 308934
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HRID 308934 반응식
[C:41]([P:42](=[O:43])([O:44][CH2:45][CH3:46])[O:47][CH2:48][CH3:49])#[N:50].[CH2:1]([CH:2]([CH3:3])[CH3:4])[n:5]1[c:6](=[O:36])[n:7]([CH3:35])[c:8](=[O:34])[c:9]2[c:10]1[n:11][n:12]([CH2:23][c:24]1[cH:25][nH:26][c:27]3[cH:28][cH:29][c:30]([CH3:33])[cH:31][c:32]13)[c:13]2-[c:14]1[cH:15][c:16]([C:20](=[O:21])[OH:22])[cH:17][n:18]1[CH3:19].[ClH:37].[O:38]([CH3:39])[NH2:40]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[n:5]1[c:6](=[O:36])[n:7]([CH3:35])[c:8](=[O:34])[c:9]2[c:10]1[n:11][n:12]([CH2:23][c:24]1[cH:25][nH:26][c:27]3[cH:28][cH:29][c:30]([CH3:33])[cH:31][c:32]13)[c:13]2-[c:14]1[cH:15][c:16]([C:20](=[O:22])[NH:40][O:38][CH3:39])[cH:17][n:18]1[CH3:19]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 313Hydrochloric AcidHCID 4113O-MethylhydroxylamineHCID 76257Diethyl cyanophosphonateHCID 589811195-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid

생성물 1

HCID 58981046
5-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-methoxy-1-methyl-1H-pyrrole-3-carboxamide

출처 및 근거

ORD 기록
ord-708ea9715663466b8faf4714ee66923b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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