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Carbonate Ion → N-(4-(7-(3-(7-hydroxy-5-azaspiro[2.4]heptane-5-yl)propoxy)-6-methoxyquinolin-4-yloxy)-3-fluorophenyl)-N-phenylcyclopropane-1,1-dicarboxamide

HRID 2319461
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HRID 2319461 반응식
[C:53](=[O:54])([O-:55])[O-:56].[CH3:37][S:38]([O:39][CH2:42][CH2:43][CH2:44][N:45]1[CH2:46][C:47]2([CH2:48][CH2:49]2)[CH:50]([OH:52])[CH2:51]1)(=[O:40])=[O:41].[Cs+:57].[Cs+:58].[F:1][c:2]1[cH:3][c:4]([N:22]([C:23](=[O:24])[C:25]2([C:28](=[O:29])[NH2:30])[CH2:26][CH2:27]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][n:12][c:13]2[cH:14][c:15]([OH:21])[c:16]([O:19][CH3:20])[cH:17][c:18]12>>[F:1][c:2]1[cH:3][c:4]([N:22]([C:23](=[O:24])[C:25]2([C:28](=[O:29])[NH2:30])[CH2:26][CH2:27]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][n:12][c:13]2[cH:14][c:15]([O:21][CH2:42][CH2:43][CH2:44][N:45]3[CH2:46][C:47]4([CH2:48][CH2:49]4)[CH:50]([OH:52])[CH2:51]3)[c:16]([O:19][CH3:20])[cH:17][c:18]12
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5

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HCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 86640798HCID 86640798, 화합물HCID 136381441N-(3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yloxy)phenyl)-N-phenylcyclopropane-1,1-dicarboxamide

생성물 1

HCID 68636350N-(4-(7-(3-(7-hydroxy-5-azaspiro[2.4]heptane-5-yl)propoxy)-6-methoxyquinolin-4-yloxy)-3-fluorophenyl)-N-phenylcyclopropane-1,1-dicarboxamide

출처 및 근거

ORD 기록
ord-825a572403fa4511b233d8772b419a0e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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