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Potassium Cation → Methyl {[4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzoyl]amino}(piperidin-4-yl)acetate

HRID 1136199
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반응식

HRID 1136199 반응식
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([CH:14]([C:15](=[O:16])[O:17][CH3:18])[NH:19][C:20]([c:21]2[cH:22][cH:23][c:24](-[c:27]3[o:28][c:29]4[c:30]([n:31]3)[cH:32][c:33]([C:39]#[N:40])[cH:34][c:35]4[CH:36]([CH3:37])[CH3:38])[cH:25][cH:26]2)=[O:41])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:42](=[O:43])([O-:44])[O-:45].[K+:46].[K+:47]>>[NH:8]1[CH2:9][CH2:10][CH:11]([CH:14]([C:15](=[O:16])[O:17][CH3:18])[NH:19][C:20]([c:21]2[cH:22][cH:23][c:24](-[c:27]3[o:28][c:29]4[c:30]([n:31]3)[cH:32][c:33]([C:39]#[N:40])[cH:34][c:35]4[CH:36]([CH3:37])[CH3:38])[cH:25][cH:26]2)=[O:41])[CH2:12][CH2:13]1
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참가 물질

4

반응물 3

HCID 813Potassium Cation2회HCID 19660Carbonate IonHCID 68744285tert-Butyl-4-(1-{[4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzoyl]amino}-2-methoxy-2-oxoethyl)piperidine-1-carboxylate

생성물 1

HCID 25169587Methyl {[4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzoyl]amino}(piperidin-4-yl)acetate

출처 및 근거

ORD 기록
ord-08f2bc234a604cd0804cc1b49dc10ceb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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