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Dimethylformamide → (4-{[2-(2-Iodo-benzylamino)-5-nitro-pyrimidin-4-ylamino]-methyl}-cyclohexyl)-carbamic acid tert-butyl ester

HRID 2160974
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HRID 2160974 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([Cl:25])[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)=[O:26].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:45][CH2:46][Cl:47].[I:27][c:28]1[c:29]([CH2:30][NH2:31])[cH:32][cH:33][cH:34][cH:35]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([NH:31][CH2:30][c:29]3[c:28]([I:27])[cH:35][cH:34][cH:33][cH:32]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)=[O:26]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 3016348(2-Iodophenyl)methanamineHCID 57885529(4-[(2-Chloro-5-nitro-pyrimidin-4-ylamino)-methyl]cyclohexyl)-carbamic acid tert-butyl ester

생성물 1

HCID 57885772
(4-{[2-(2-Iodo-benzylamino)-5-nitro-pyrimidin-4-ylamino]-methyl}-cyclohexyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-638a6f994c9e492498215cd39b9129b4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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