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Tetrahydrofuran → N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-5-[(phenylsulfonyl)methyl]-1H-1,2,3-triazole-4-carboxamide

HRID 308205
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반응식

HRID 308205 반응식
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[n:8][n:9][n:10](-[c:21]3[cH:22][cH:23][c:24]([C:27](=[O:28])[NH:29][CH2:30][CH3:31])[cH:25][cH:26]3)[c:11]2[CH2:12][S:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:2][CH2:3]1.[Cl:32][c:33]1[cH:34][cH:35][cH:36][c:37]([C:38]([O:39][OH:41])=[O:40])[cH:42]1>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[n:8][n:9][n:10](-[c:21]3[cH:22][cH:23][c:24]([C:27](=[O:28])[NH:29][CH2:30][CH3:31])[cH:25][cH:26]3)[c:11]2[CH2:12][S:13](=[O:14])([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:40])[CH2:2][CH2:3]1
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5

반응물 4

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 70297m-Chloroperbenzoic acidHCID 57665018N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-5-[(phenylsulfinyl)methyl]-1H-1,2,3-triazole-4-carboxamide

생성물 1

HCID 57665196N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-5-[(phenylsulfonyl)methyl]-1H-1,2,3-triazole-4-carboxamide

출처 및 근거

ORD 기록
ord-91163a28b3a642228f00608444bab177
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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