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Tetrahydrofuran → 4'-(2-Phenoxy-ethylsulfanylmethyl)-biphenyl-4-carboxylic acid (4-dimethylamino-butyl)-amide

HRID 1234397
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HRID 1234397 반응식
[C:27]([n:28]1[cH:29][cH:30][n:31][cH:32]1)([n:33]1[cH:34][cH:35][n:36][cH:37]1)=[O:38].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:39][N:40]([CH2:41][CH2:42][CH2:43][CH2:44][NH2:45])[CH3:46].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[cH:19][cH:20][c:21]([C:24](=[O:25])[OH:26])[cH:22][cH:23]2)[cH:16][cH:17]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[cH:19][cH:20][c:21]([C:24](=[O:26])[NH:45][CH2:44][CH2:43][CH2:42][CH2:41][N:40]([CH3:39])[CH3:46])[cH:22][cH:23]2)[cH:16][cH:17]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 682631,1'-CarbonyldiimidazoleHCID 770634-DimethylaminobutylamineHCID 218999774'-(2-Phenoxy-ethylsulfanylmethyl)-biphenyl-4-carboxylic acid

생성물 1

HCID 99850894'-(2-Phenoxy-ethylsulfanylmethyl)-biphenyl-4-carboxylic acid (4-dimethylamino-butyl)-amide

출처 및 근거

ORD 기록
ord-2ed67291e76046518c45e78b04c8bc86
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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