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Hydrochloric Acid → N-(3-chloro-2-fluorophenyl)-7-methoxy-6-({1-[(3-methylisoxazol-4-yl)carbonyl]piperidin-4-yl}oxy)quinazolin-4-amine

HRID 1147135
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HRID 1147135 반응식
[CH2:73]([Cl:74])[Cl:75].[CH3:64][c:65]1[n:66][o:67][cH:68][c:69]1[C:70](=[O:71])[OH:72].[CH:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH2:60][CH3:61])([CH3:62])[CH3:63].[Cl:27][c:28]1[c:29]([F:54])[c:30]([NH:34][c:35]2[n:36][cH:37][n:38][c:39]3[cH:40][c:41]([O:52][CH3:53])[c:42]([O:45][CH:46]4[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]4)[cH:43][c:44]23)[cH:31][cH:32][cH:33]1.[ClH:25].[ClH:26].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[Cl:27][c:28]1[c:29]([F:54])[c:30]([NH:34][c:35]2[n:36][cH:37][n:38][c:39]3[cH:40][c:41]([O:52][CH3:53])[c:42]([O:45][CH:46]4[CH2:47][CH2:48][N:49]([C:70]([c:69]5[c:65]([CH3:64])[n:66][o:67][cH:68]5)=[O:71])[CH2:50][CH2:51]4)[cH:43][c:44]23)[cH:31][cH:32][cH:33]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 45896923-Methyl-1,2-oxazole-4-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 10408840
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(piperidin-4-yloxy)quinazolin-4-amine

생성물 1

HCID 11260774N-(3-chloro-2-fluorophenyl)-7-methoxy-6-({1-[(3-methylisoxazol-4-yl)carbonyl]piperidin-4-yl}oxy)quinazolin-4-amine

출처 및 근거

ORD 기록
ord-26b3078b1ed249a2ab29c63db3ade864
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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