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Ethanolamine → 3-{2-ethyl-4-[5-(4-isobutyl-5-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenyl}-N-(2-hydroxy-ethyl)-propionamide

HRID 950279
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HRID 950279 반응식
[B-:39]([F:40])([F:41])([F:42])[F:43].[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:25][CH2:26][C:27](=[O:28])[OH:29])[c:5]([CH3:24])[cH:6][c:7](-[c:9]2[n:10][o:11][c:12](-[c:14]3[s:15][c:16]([CH3:23])[c:17]([CH2:19][CH:20]([CH3:21])[CH3:22])[cH:18]3)[n:13]2)[cH:8]1.[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:65][CH2:66][Cl:67].[NH2:61][CH2:62][CH2:63][OH:64].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:25][CH2:26][C:27](=[O:28])[NH:61][CH2:62][CH2:63][OH:64])[c:5]([CH3:24])[cH:6][c:7](-[c:9]2[n:10][o:11][c:12](-[c:14]3[s:15][c:16]([CH3:23])[c:17]([CH2:19][CH:20]([CH3:21])[CH3:22])[cH:18]3)[n:13]2)[cH:8]1
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참가 물질

7

반응물 6

HCID 700EthanolamineHCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 594978783-{2-Ethyl-4-[5-(4-isobutyl-5-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenyl}-propionic acid

생성물 1

HCID 23729278
3-{2-ethyl-4-[5-(4-isobutyl-5-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenyl}-N-(2-hydroxy-ethyl)-propionamide

출처 및 근거

ORD 기록
ord-92420a5db73b4f25b945018a3f28d536
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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