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Potassium Cation → 4-[(3-Chloro-2-fluoro-phenyl)amino]-6-(1,4-dioxa-spiro[4.5]decan-8-yl-oxy)-7-methoxy-quinazoline

HRID 300433
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HRID 300433 반응식
[C:1](=[O:2])([O-:3])[O-:4].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:7][S:8](=[O:9])(=[O:10])[O:11][CH:12]1[CH2:13][CH2:14][C:15]2([O:16][CH2:17][CH2:18][O:19]2)[CH2:20][CH2:21]1.[Cl:22][c:23]1[c:24]([F:43])[c:25]([NH:29][c:30]2[n:31][cH:32][n:33][c:34]3[cH:35][c:36]([O:41][CH3:42])[c:37]([OH:40])[cH:38][c:39]23)[cH:26][cH:27][cH:28]1.[K+:5].[K+:6].[OH2:49]>>[O:11]([CH:12]1[CH2:13][CH2:14][C:15]2([O:16][CH2:17][CH2:18][O:19]2)[CH2:20][CH2:21]1)[c:37]1[c:36]([O:41][CH3:42])[cH:35][c:34]2[n:33][cH:32][n:31][c:30]([NH:29][c:25]3[c:24]([F:43])[c:23]([Cl:22])[cH:28][cH:27][cH:26]3)[c:39]2[cH:38]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 149667411,4-Dioxaspiro(4.5)decan-8-yl methanesulfonateHCID 574768684-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-ol

생성물 1

HCID 591581734-[(3-Chloro-2-fluoro-phenyl)amino]-6-(1,4-dioxa-spiro[4.5]decan-8-yl-oxy)-7-methoxy-quinazoline

출처 및 근거

ORD 기록
ord-500818686c094230baeab3ccffd64bb6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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