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Water → N-Methyl-4-{4-phenyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine

HRID 1134488
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HRID 1134488 반응식
[CH3:1][NH:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[c:10](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:11][cH:12][n:13]2[CH:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[n:8]1.[CH3:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[Cl:26][CH2:27][c:28]1[n:29][cH:30][cH:31][cH:32][n:33]1.[Cl:73][CH2:74][Cl:75].[F:34][c:35]1[cH:36][cH:37][c:38](-[c:39]2[n:40][cH:41][n:42]([CH:43]3[CH2:44][CH2:45][N:46]([CH2:47][c:48]4[n:49][cH:50][cH:51][cH:52][n:53]4)[CH2:54][CH2:55]3)[c:56]2-[c:57]2[cH:58][cH:59][n:60][c:61]([NH2:62])[n:63]2)[cH:64][cH:65]1.[OH2:76]>>[CH3:1][NH:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[c:10](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:11][cH:12][n:13]2[CH:14]2[CH2:15][CH2:16][N:17]([CH2:27][c:28]3[n:29][cH:30][cH:31][cH:32][n:33]3)[CH2:18][CH2:19]2)[n:8]1
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참가 물질

7

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HCID 962WaterHCID 6344DichloromethaneHCID 8900HeptaneHCID 128773712-(Chloromethyl)pyrimidineHCID 574617294-{4-(4-Fluorophenyl)-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amineHCID 58235131HCID 58235131, 화합물

생성물 1

HCID 58235122
N-Methyl-4-{4-phenyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine

출처 및 근거

ORD 기록
ord-6fa7b16e4f51484c87e890e482cb98bb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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