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Triethylamine → {1-[6-Fluoro-4-(2-{5-fluoro-2-[2-(2-oxo-2,3-dihydro-imidazol-1-yl)-ethylamino]-pyrimidin-4-yl}-benzo[b]thiophen-7-yl)-pyridin-3-yl]-ethyl}-carbamic acid tert-butyl ester

HRID 1237726
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인쇄 미리보기

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HRID 1237726 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH3:9])[c:10]1[cH:11][n:12][c:13]([F:33])[cH:14][c:15]1-[c:16]1[cH:17][cH:18][cH:19][c:20]2[c:21]1[s:22][c:23](-[c:25]1[n:26][c:27]([Cl:32])[n:28][cH:29][c:30]1[F:31])[cH:24]2)=[O:34].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[NH2:35][CH2:36][CH2:37][n:38]1[c:39](=[O:43])[nH:40][cH:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH3:9])[c:10]1[cH:11][n:12][c:13]([F:33])[cH:14][c:15]1-[c:16]1[cH:17][cH:18][cH:19][c:20]2[c:21]1[s:22][c:23](-[c:25]1[n:26][c:27]([NH:35][CH2:36][CH2:37][n:38]3[c:39](=[O:43])[nH:40][cH:41][cH:42]3)[n:28][cH:29][c:30]1[F:31])[cH:24]2)=[O:34]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 218436401-(2-Aminoethyl)-1H-imidazol-2(3H)-oneHCID 86640495(1-{4-[2-(2-Chloro-5-fluoro-pyrimidin-4-yl)-benzo[b]thiophen-7-yl]-6-fluoro-pyridin-3-yl}-ethyl)-carbamic acid tert-butyl ester

생성물 1

HCID 66997925
{1-[6-Fluoro-4-(2-{5-fluoro-2-[2-(2-oxo-2,3-dihydro-imidazol-1-yl)-ethylamino]-pyrimidin-4-yl}-benzo[b]thiophen-7-yl)-pyridin-3-yl]-ethyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-a0883a02e1844c2d8daed4e0387a985b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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