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Dichloromethane → tert-butyl 6-(2,2-dichloro-N-(2-(3-(2,6-dichlorophenyl)isoxazol-5-yl)pyridin-4-yl)acetamido)-2-methyl-4-oxohexan-3-ylcarbamate

HRID 97395
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HRID 97395 반응식
[C:10](=[O:11])([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[NH:17][CH:18]([CH:19]([CH3:20])[CH3:21])[C:22](=[O:23])[OH:24].[CH2:59]([Cl:60])[Cl:61].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[NH2:25][CH:26]([CH:27]([CH3:55])[CH3:56])[C:57]([CH2:28][CH2:29][N:30]([C:31]([CH:32]([Cl:33])[Cl:34])=[O:35])[c:36]1[cH:37][c:38](-[c:42]2[cH:43][c:44](-[c:47]3[c:48]([Cl:54])[cH:49][cH:50][cH:51][c:52]3[Cl:53])[n:45][o:46]2)[n:39][cH:40][cH:41]1)=[O:58]>>[C:10](=[O:11])([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[NH:17][CH:18]([CH:19]([CH3:20])[CH3:21])[C:22](=[O:24])[CH2:28][CH2:29][N:30]([C:31]([CH:32]([Cl:33])[Cl:34])=[O:35])[c:36]1[cH:37][c:38](-[c:42]2[cH:43][c:44](-[c:47]3[c:48]([Cl:54])[cH:49][cH:50][cH:51][c:52]3[Cl:53])[n:45][o:46]2)[n:39][cH:40][cH:41]1
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참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 270655Boc-DL-valineHCID 12002082N-(4-amino-5-methyl-3-oxohexyl)-2,2-dichloro-N-(2-(3-(2,6-dichlorophenyl)isoxazol-5-yl)pyridin-4-yl)acetamide

생성물 1

HCID 57588429tert-butyl 6-(2,2-dichloro-N-(2-(3-(2,6-dichlorophenyl)isoxazol-5-yl)pyridin-4-yl)acetamido)-2-methyl-4-oxohexan-3-ylcarbamate

출처 및 근거

ORD 기록
ord-63a8304d4bf54103acf884b2f7ea2afd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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