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Tetrahydrofuran → ethyl 2-[3-tert-butyl-5-(3-{3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio]phenyl}ureido)-1H-pyrazol-1-yl]acetate

HRID 126009
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HRID 126009 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:8]([NH:10][C:11]([O:13][c:12]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[cH:9]1.[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:26][O:27][c:28]1[cH:29][c:30]2[c:31]([S:43][c:44]3[cH:45][c:46]([NH2:47])[cH:48][cH:49][cH:50]3)[n:32][cH:33][n:34][c:35]2[cH:36][c:37]1[O:38][CH2:39][CH2:40][O:41][CH3:42].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:8]([NH:10][C:11](=[O:13])[NH:47][c:46]2[cH:45][c:44]([S:43][c:31]3[c:30]4[cH:29][c:28]([O:27][CH3:26])[c:37]([O:38][CH2:39][CH2:40][O:41][CH3:42])[cH:36][c:35]4[n:34][cH:33][n:32]3)[cH:50][cH:49][cH:48]2)[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 66876495ethyl 2-[3-tert-butyl-5-(phenoxycarbonylamino)-1H-pyrazol-1-yl]acetateHCID 668767643-(6-Methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio)aniline

생성물 1

HCID 58267960ethyl 2-[3-tert-butyl-5-(3-{3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio]phenyl}ureido)-1H-pyrazol-1-yl]acetate

출처 및 근거

ORD 기록
ord-ed134ef3f6404a69919de4b1946d0fae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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