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Methanol → t-Butyl (2-{4-[3-(4-morpholin-4-yl-phenyl)-3-oxo-propenyl]-benzoylamino}-phenyl)-carbamate

HRID 191179
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HRID 191179 반응식
[CH3:41][C:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)=[O:49].[CH3:52][OH:53].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[cH:12][cH:13][cH:14][cH:15]2)[cH:24][cH:25]1.[Na+:51].[O:26]1[CH2:27][CH2:28][N:29]([c:32]2[cH:33][cH:34][c:35]([C:38]([CH3:39])=[O:40])[cH:36][cH:37]2)[CH2:30][CH2:31]1.[OH-:50]>>[CH:1]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[cH:12][cH:13][cH:14][cH:15]2)[cH:24][cH:25]1)=[CH:39][C:38]([c:35]1[cH:34][cH:33][c:32]([N:29]2[CH2:28][CH2:27][O:26][CH2:31][CH2:30]2)[cH:37][cH:36]1)=[O:40]
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반응물 6

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 7410AcetophenoneHCID 383624-MorpholinoacetophenoneHCID 22668143Tert-butyl {2-[(4-formylbenzoyl)amino]phenyl}carbamate

생성물 1

HCID 86602775
t-Butyl (2-{4-[3-(4-morpholin-4-yl-phenyl)-3-oxo-propenyl]-benzoylamino}-phenyl)-carbamate

출처 및 근거

ORD 기록
ord-6713f09bd4a34f7c91d5a7d81a36bec6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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