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Acetic Acid → 3-{4-[2-(4-tert-Butyl-phenyl)-imidazo[1,2-a]pyridin-5-yl]-piperazin-1-ylmethyl}-pyrido[2,3-b]pyrazine

HRID 1545194
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HRID 1545194 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[n:14]([c:15]([N:19]4[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]4)[cH:16][cH:17][cH:18]3)[cH:25]2)[cH:9][cH:10]1.[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH3:38][C:39](=[O:40])[OH:41].[CH3:56][N:57]1[CH2:58][CH2:59][CH2:60][C:61]1=[O:62].[Na+:55].[n:26]1[c:27]2[c:28]([n:29][c:30]([CH:32]=[O:33])[cH:31]1)[n:34][cH:35][cH:36][cH:37]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[n:14]([c:15]([N:19]4[CH2:20][CH2:21][N:22]([CH2:32][c:30]5[n:29][c:28]6[c:27]([n:26][cH:31]5)[cH:37][cH:36][cH:35][n:34]6)[CH2:23][CH2:24]4)[cH:16][cH:17][cH:18]3)[cH:25]2)[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 923Sodium IonHCID 13387N-methyl-2-pyrrolidoneHCID 2724942TriacetoxyborohydrideHCID 42605283Pyrido[2,3-b]pyrazine-3-carbaldehydeHCID 57832787HCID 57832787, 화합물

생성물 1

HCID 15604460
3-{4-[2-(4-tert-Butyl-phenyl)-imidazo[1,2-a]pyridin-5-yl]-piperazin-1-ylmethyl}-pyrido[2,3-b]pyrazine

출처 및 근거

ORD 기록
ord-eebc0510f05d41efa8838522922052b5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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