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Water → 5-phenyl-3-(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)dihydropyrimidine-2,4(1H,3H)-dione

HRID 697982
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HRID 697982 반응식
[Br:22][CH:23]([Cl:24])[CH2:25][CH3:26].[C:41](=[O:42])([O-:43])[O-:44].[Cl:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[c:7]([CH2:19][CH2:20][CH3:21])[c:8]2[c:9]([c:10]([C:13]([F:14])([F:15])[F:16])[n:11][o:12]2)[cH:17][cH:18]1.[Cs+:45].[Cs+:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:52].[c:27]1([CH:33]2[C:34](=[O:40])[NH:35][C:36](=[O:39])[NH:37][CH2:38]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH2:2]([CH2:3][CH2:4][O:5][c:6]1[c:7]([CH2:19][CH2:20][CH3:21])[c:8]2[c:9]([c:10]([C:13]([F:14])([F:15])[F:16])[n:11][o:12]2)[cH:17][cH:18]1)[N:35]1[C:34](=[O:40])[CH:33]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:38][NH:37][C:36]1=[O:39]
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HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 36872Propane, bromochloro-HCID 104967Cesium cation2회HCID 219110296-(3-Chloropropoxy)-7-propyl-3-(trifluoromethyl)-1,2-benzisoxazoleHCID 587195655-phenyldihydropyrimidine-2,4(1H,3H)-dione

생성물 1

HCID 219110165-phenyl-3-(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)dihydropyrimidine-2,4(1H,3H)-dione

출처 및 근거

ORD 기록
ord-c89d055086e54b82b30c0732a5dd4121
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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