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7-[4-(4-Methyl-piperazin-1-yl)-piperidin-1-yl]-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamine → [2-(5-Chloro-2-{7-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamino]-pyrimidin-4-ylamino)-3-fluoro-phenoxy]-acetonitrile

HRID 206821
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반응식

HRID 206821 반응식
[CH3:21][N:22]1[CH2:23][CH2:24][N:25]([CH:28]2[CH2:29][CH2:30][N:31]([CH:34]3[CH2:35][CH2:36][c:37]4[c:38]([cH:41][c:42]([NH2:45])[cH:43][cH:44]4)[CH2:39][CH2:40]3)[CH2:32][CH2:33]2)[CH2:26][CH2:27]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([O:11][CH2:12][C:13]#[N:14])[cH:15][cH:16][cH:17][c:18]2[F:19])[n:7]1>>[c:2]1([NH:45][c:42]2[cH:41][c:38]3[c:37]([cH:44][cH:43]2)[CH2:36][CH2:35][CH:34]([N:31]2[CH2:30][CH2:29][CH:28]([N:25]4[CH2:24][CH2:23][N:22]([CH3:21])[CH2:27][CH2:26]4)[CH2:33][CH2:32]2)[CH2:40][CH2:39]3)[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([O:11][CH2:12][C:13]#[N:14])[cH:15][cH:16][cH:17][c:18]2[F:19])[n:7]1
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참가 물질

3

반응물 2

HCID 672641617-[4-(4-Methyl-piperazin-1-yl)-piperidin-1-yl]-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamineHCID 86633948[2-(2,5-Dichloropyrimidin-4-ylamino)-3-fluorophenoxy]-acetonitrile

생성물 1

HCID 67263785[2-(5-Chloro-2-{7-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamino]-pyrimidin-4-ylamino)-3-fluoro-phenoxy]-acetonitrile

출처 및 근거

ORD 기록
ord-dac1c430da4c48a09989212374db7753
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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