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Carbamic Acid → 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio)phenyl)urea

HRID 86749
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HRID 86749 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:8]([NH:10][C:11]([O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[cH:9]1.[C:26](=[O:27])([OH:28])[NH2:29].[CH3:30][O:31][c:32]1[cH:33][c:34]2[c:35]([S:47][c:48]3[cH:49][c:50]([NH2:51])[cH:52][cH:53][cH:54]3)[n:36][cH:37][n:38][c:39]2[cH:40][c:41]1[O:42][CH2:43][CH2:44][O:45][CH3:46].[CH3:64][N:65]([c:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1)[CH3:72].[CH:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH2:60][CH3:61])([CH3:62])[CH3:63]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:8]([NH:10][C:11](=[O:19])[NH:51][c:50]2[cH:49][c:48]([S:47][c:35]3[c:34]4[cH:33][c:32]([O:31][CH3:30])[c:41]([O:42][CH2:43][CH2:44][O:45][CH3:46])[cH:40][c:39]4[n:38][cH:37][n:36]3)[cH:54][cH:53][cH:52]2)[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 277Carbamic AcidHCID 142844-(Dimethylamino)pyridineHCID 81531DiisopropylethylamineHCID 46196894phenyl 3-tert-butyl-1-phenyl-1H-pyrazol-5-ylcarbamateHCID 668767643-(6-Methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio)aniline

생성물 1

HCID 58267869
1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio)phenyl)urea

출처 및 근거

ORD 기록
ord-923596f3c77546019115bda4a8521a39
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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