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Dimethylamine → (dimethylcarbamoyl-{3-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-methyl)-methyl-carbamic acid tert-butyl ester

HRID 299540
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HRID 299540 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH:10]([C:11](=[O:12])[OH:13])[c:14]1[cH:15][c:16](-[c:20]2[cH:21][c:22]3[c:23]([n:24][cH:25]2)[n:26]([CH2:37][O:38][CH2:39][CH2:40][Si:41]([CH3:42])([CH3:43])[CH3:44])[n:27][c:28]3-[c:29]2[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:17][cH:18][cH:19]1.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:45][NH:46][CH3:47].[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH:10]([C:11](=[O:12])[N:46]([CH3:45])[CH3:47])[c:14]1[cH:15][c:16](-[c:20]2[cH:21][c:22]3[c:23]([n:24][cH:25]2)[n:26]([CH2:37][O:38][CH2:39][CH2:40][Si:41]([CH3:42])([CH3:43])[CH3:44])[n:27][c:28]3-[c:29]2[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:17][cH:18][cH:19]1
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참가 물질

5

반응물 4

HCID 674DimethylamineHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 59825062(tert-butoxycarbonyl-methyl-amino)-{3-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-acetic acid

생성물 1

HCID 59824850
(dimethylcarbamoyl-{3-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-methyl)-methyl-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-a50df719e59b4a8097d6bf3c72ab60b0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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