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Water → 3-(1-{[3-(methyloxy)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)thieno[3,2-c]pyridin-4-amine

HRID 174269
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HRID 174269 반응식
[CH3:44][O:45][c:46]1[cH:47][c:48]([CH2:52][C:53](=[O:54])[OH:55])[cH:49][cH:50][cH:51]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][s:12][c:13]4[c:14]3[c:15]([NH2:19])[n:16][cH:17][cH:18]4)[cH:7][cH:8][c:9]21.[OH2:65].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[N:1]1([C:53]([CH2:52][c:48]2[cH:47][c:46]([O:45][CH3:44])[cH:51][cH:50][cH:49]2)=[O:54])[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][s:12][c:13]4[c:14]3[c:15]([NH2:19])[n:16][cH:17][cH:18]4)[cH:7][cH:8][c:9]21
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참가 물질

8

반응물 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 15719(3-Methoxyphenyl)acetic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 66823569
3-(2,3-dihydro-1H-indol-5-yl)thieno[3,2-c]pyridin-4-amine

생성물 1

HCID 534671733-(1-{[3-(methyloxy)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)thieno[3,2-c]pyridin-4-amine

출처 및 근거

ORD 기록
ord-6c95e23763184ca6b1fe922e6c81b338
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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