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Acetic Acid → 1-[4-(2-Aminopyridin-4-yloxy)-2-fluorophenylcarbamoyl]cyclopropanecarboxylic acid benzyl ester

HRID 2128271
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HRID 2128271 반응식
[C:35]([OH:36])(=[O:37])[CH3:38].[C:39]([OH:40])(=[O:41])[CH3:42].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[C:11]1([C:14]([NH:15][c:16]2[c:17]([F:32])[cH:18][c:19]([O:22][c:23]3[cH:24][c:25]([C:29](=[O:30])[NH2:31])[n:26][cH:27][cH:28]3)[cH:20][cH:21]2)=[O:33])[CH2:12][CH2:13]1.[CH3:52][N:53]1[CH2:54][CH2:55][CH2:56][C:57]1=[O:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[I:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Na+:51].[OH-:50].[OH2:34]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[C:11]1([C:14]([NH:15][c:16]2[c:17]([F:32])[cH:18][c:19]([O:22][c:23]3[cH:24][c:25]([NH2:53])[n:26][cH:27][cH:28]3)[cH:20][cH:21]2)=[O:33])[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic Acid2회HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 11575IodobenzeneHCID 13387N-methyl-2-pyrrolidone
HCID 24788499
1-[4-(2-Carbamoylpyridin-4-yloxy)-2-fluorophenylcarbamoyl]cyclopropanecarboxylic acid benzyl ester

생성물 1

HCID 594597071-[4-(2-Aminopyridin-4-yloxy)-2-fluorophenylcarbamoyl]cyclopropanecarboxylic acid benzyl ester

출처 및 근거

ORD 기록
ord-04305011d24a4021a677fda9f58ea343
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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