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Sodium Ion → 2-[(5-chloro-1H-indol-3-yl)methyl]-3-[4-(1-hydroxyethyl)-1-methyl-1H-pyrrol-2-yl]-7-isobutyl-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

HRID 87051
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HRID 87051 반응식
[BH4-:75].[C:28]([c:29]1[cH:30][c:31]([CH:32]=[O:33])[n:34]([CH3:35])[cH:36]1)(=[O:37])[CH3:38].[C:39]([CH3:40])(=[O:41])[c:42]1[cH:43][c:44](-[c:48]2[n:49]([CH2:64][c:65]3[cH:66][nH:67][c:68]4[cH:69][cH:70][c:71]([Cl:74])[cH:72][c:73]34)[n:50][c:51]3[n:52]([CH2:60][CH:61]([CH3:62])[CH3:63])[c:53](=[O:59])[n:54]([CH3:58])[c:55](=[O:57])[c:56]23)[n:45]([CH3:47])[cH:46]1.[CH2:77]1[O:78][CH2:79][CH2:80][CH2:81]1.[Cl:16][c:17]1[cH:18][c:19]2[c:20]([cH:21][cH:22]1)[nH:23][cH:24][c:25]2[CH:26]=[O:27].[NH:1]([c:2]1[n:3]([CH2:4][CH:5]([CH3:6])[CH3:7])[c:8](=[O:9])[n:10]([CH3:11])[c:12](=[O:13])[cH:14]1)[NH2:15].[Na+:76]>>[CH:39]([CH3:40])([OH:41])[c:42]1[cH:43][c:44](-[c:48]2[n:49]([CH2:64][c:65]3[cH:66][nH:67][c:68]4[cH:69][cH:70][c:71]([Cl:74])[cH:72][c:73]34)[n:50][c:51]3[n:52]([CH2:60][CH:61]([CH3:62])[CH3:63])[c:53](=[O:59])[n:54]([CH3:58])[c:55](=[O:57])[c:56]23)[n:45]([CH3:47])[cH:46]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 27953745-chloro-1H-indole-3-carbaldehydeHCID 126762684-Acetyl-1-methyl-1H-pyrrole-2-carbaldehydeHCID 193560846-hydrazino-1-isobutyl-3-methyl-2,4(1H,3H)-pyrimidinedione
HCID 58981140
3-(4-acetyl-1-methyl-1H-pyrrol-2-yl)-2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

생성물 1

HCID 589810182-[(5-chloro-1H-indol-3-yl)methyl]-3-[4-(1-hydroxyethyl)-1-methyl-1H-pyrrol-2-yl]-7-isobutyl-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

출처 및 근거

ORD 기록
ord-182d07d3481d40a287868fd85ea207fa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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