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Hydrochloric Acid → 4-[2-[(5-Bromopyridin-3-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

HRID 87148
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인쇄 미리보기

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HRID 87148 반응식
[Br:35][c:36]1[cH:37][c:38]([CH2:42][C:43](=[O:44])[OH:45])[cH:39][n:40][cH:41]1.[CH3:11][N:12]1[CH2:13][CH2:14][N:15]([c:18]2[n:19][c:20]([NH2:34])[n:21][c:22](-[c:24]3[cH:25][cH:26][c:27]4[c:32]([cH:33]3)[CH2:31][NH:30][CH2:29][CH2:28]4)[cH:23]2)[CH2:16][CH2:17]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[ClH:10].[ClH:8].[ClH:9].[OH2:73].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][P+:55]([N:56]([CH3:57])[CH3:58])([N:59]([CH3:60])[CH3:61])[N:62]([CH3:63])[CH3:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[CH3:11][N:12]1[CH2:13][CH2:14][N:15]([c:18]2[n:19][c:20]([NH2:34])[n:21][c:22](-[c:24]3[cH:25][cH:26][c:27]4[c:32]([cH:33]3)[CH2:31][N:30]([C:43]([CH2:42][c:38]3[cH:37][c:36]([Br:35])[cH:41][n:40][cH:39]3)=[O:44])[CH2:29][CH2:28]4)[cH:23]2)[CH2:16][CH2:17]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid3회HCID 962WaterHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 28025392-(5-Bromopyridin-3-yl)acetic acidHCID 49779438
4-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

생성물 1

HCID 594965344-[2-[(5-Bromopyridin-3-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

출처 및 근거

ORD 기록
ord-4885c7a9f7964b6eb68bf4754f6dfd6d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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