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Acetate → tert-butyl N-[4-[[2-[4-(4-carbamoyl-3-fluorophenyl)phenyl]-1-cyanoethyl]carbamoyl]oxan-4-yl]carbamate

HRID 2348674
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HRID 2348674 반응식
[C:1](#[N:2])[CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([I:11])[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[C:15]1([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1.[C:29]([NH2:30])(=[O:31])[c:32]1[c:33]([F:41])[cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[CH3:43][C:44](=[O:45])[O-:46].[CH3:47][C:48]#[N:49].[K+:42].[OH2:50]>>[C:1](#[N:2])[CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:35]2[cH:34][c:33]([F:41])[c:32]([C:29]([NH2:30])=[O:31])[cH:37][cH:36]2)[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[C:15]1([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1
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참가 물질

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반응물 6

HCID 175AcetateHCID 813Potassium CationHCID 962WaterHCID 6342AcetonitrileHCID 44717670B-(4-(Aminocarbonyl)-3-fluorophenyl)boronic acidHCID 68430038tert-butyl N-[4-[[1-cyano-2-(4-iodophenyl)ethyl]carbamoyl]oxan-4-yl]carbamate

생성물 1

HCID 72328325
tert-butyl N-[4-[[2-[4-(4-carbamoyl-3-fluorophenyl)phenyl]-1-cyanoethyl]carbamoyl]oxan-4-yl]carbamate

출처 및 근거

ORD 기록
ord-3e73f35d2c9c4ea3a3579178d8f1902d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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