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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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2-(7-Amino-8-methoxy-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)ethan-1-ol → 7-{5-Chloro-2-[3-(2-hydroxy-ethyl)-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamino]-pyrimidin-4-ylamino}-4-(4-isopropyl-piperazin-1-yl)-2-methyl-2,3-dihydro-isoindol-1-one

HRID 1124537
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HRID 1124537 반응식
[Cl:18][c:19]1[n:20][cH:21][c:22]([Cl:46])[c:23]([NH:25][c:26]2[cH:27][cH:28][c:29]([N:37]3[CH2:38][CH2:39][N:40]([CH:43]([CH3:44])[CH3:45])[CH2:41][CH2:42]3)[c:30]3[c:34]2[C:33](=[O:35])[N:32]([CH3:36])[CH2:31]3)[n:24]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:14][c:15]1[O:16][CH3:17])[CH2:6][CH2:7][N:8]([CH2:11][CH2:12][OH:13])[CH2:9][CH2:10]2>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:14][c:15]1[O:16][CH3:17])[CH2:6][CH2:7][N:8]([CH2:11][CH2:12][OH:13])[CH2:9][CH2:10]2)[c:19]1[n:20][cH:21][c:22]([Cl:46])[c:23]([NH:25][c:26]2[cH:27][cH:28][c:29]([N:37]3[CH2:38][CH2:39][N:40]([CH:43]([CH3:44])[CH3:45])[CH2:41][CH2:42]3)[c:30]3[c:34]2[C:33](=[O:35])[N:32]([CH3:36])[CH2:31]3)[n:24]1
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반응물 2

HCID 574161162-(7-Amino-8-methoxy-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)ethan-1-olHCID 598492227-(2,5-Dichloropyrimidin-4-ylamino)-4-(4-isopropylpiperazin-1-yl)-2-methyl-2,3-dihydroisoindol-1-one

생성물 1

HCID 668300637-{5-Chloro-2-[3-(2-hydroxy-ethyl)-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamino]-pyrimidin-4-ylamino}-4-(4-isopropyl-piperazin-1-yl)-2-methyl-2,3-dihydro-isoindol-1-one

출처 및 근거

ORD 기록
ord-ae74720978b940179efa5d90b13afe20
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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