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Methanol → N-[4-Methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-N'-[3-(trifluoromethyl)-phenyl]urea

HRID 95691
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반응식

HRID 95691 반응식
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:14][c:15]1[c:16](-[c:22]2[cH:23][cH:24][c:25]3[c:26]4[c:27]([nH:28][c:29]3[cH:30]2)[n:31][cH:32][n:33][cH:34]4)[cH:17][c:18]([NH2:19])[cH:20][cH:21]1.[CH3:49][OH:50].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[N:1](=[C:2]=[O:3])[c:4]1[cH:5][c:6]([C:10]([F:11])([F:12])[F:13])[cH:7][cH:8][cH:9]1>>[NH:1]([C:2](=[O:3])[NH:19][c:18]1[cH:17][c:16](-[c:22]2[cH:23][cH:24][c:25]3[c:26]4[c:27]([nH:28][c:29]3[cH:30]2)[n:31][cH:32][n:33][cH:34]4)[c:15]([CH3:14])[cH:21][cH:20]1)[c:4]1[cH:5][c:6]([C:10]([F:11])([F:12])[F:13])[cH:7][cH:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 887MethanolHCID 8028TetrahydrofuranHCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 81531DiisopropylethylamineHCID 690464994-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)aniline

생성물 1

HCID 59774720N-[4-Methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-N'-[3-(trifluoromethyl)-phenyl]urea

출처 및 근거

ORD 기록
ord-62933410251e4da6ba69cb6959689d43
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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