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Hydrochloric Acid → 6-cyano-4-oxo-N-{[3-({3-[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]propanoyl}amino)phenyl]methyl}-3,4-dihydroquinazoline-2-carboxamide

HRID 697575
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인쇄 미리보기

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HRID 697575 반응식
[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[ClH:54].[NH2:1][c:2]1[cH:3][c:4]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[n:13][c:14]3[cH:15][cH:16][c:17]([C:23]#[N:24])[cH:18][c:19]3[c:20](=[O:22])[nH:21]2)[cH:5][cH:6][cH:7]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH:66][n:67]1[c:68]2[cH:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1.[c:25]1([C:31]([n:32]2[n:33][c:34]([CH2:37][CH2:38][C:39](=[O:40])[OH:41])[n:35][cH:36]2)([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[NH:1]([c:2]1[cH:3][c:4]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[n:13][c:14]3[cH:15][cH:16][c:17]([C:23]#[N:24])[cH:18][c:19]3[c:20](=[O:22])[nH:21]2)[cH:5][cH:6][cH:7]1)[C:39]([CH2:38][CH2:37][c:34]1[n:33][n:32]([C:31]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:36][n:35]1)=[O:40]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 667689233-[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]propanoic acidHCID 136054507N-[(3-aminophenyl)methyl]-6-cyano-4-oxo-3,4-dihydroquinazoline-2-carboxamide

생성물 1

HCID 1363809646-cyano-4-oxo-N-{[3-({3-[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]propanoyl}amino)phenyl]methyl}-3,4-dihydroquinazoline-2-carboxamide

출처 및 근거

ORD 기록
ord-4ca241309e3e441fa64178e2463cfc81
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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