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1,2-Dichloroethane → N-(3'-hydroxybiphenyl-2-ylmethyl)-2-[3-(4-cyano-3-fluorobenzyl)-3H-imidazol-4-yl]acetamide

HRID 160830
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HRID 160830 반응식
[C:1](#[N:2])[c:3]1[c:4]([F:19])[cH:5][c:6]([CH2:7][n:8]2[cH:9][n:10][cH:11][c:12]2[CH2:13][C:14](=[O:15])[O-:16])[cH:17][cH:18]1.[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH:52]([N:53]([CH:54]([CH3:55])[CH3:56])[CH2:57][CH3:58])([CH3:59])[CH3:60].[ClH:21].[Li+:20].[NH2:22][CH2:23][c:24]1[c:25](-[c:30]2[cH:31][c:32]([OH:36])[cH:33][cH:34][cH:35]2)[cH:26][cH:27][cH:28][cH:29]1.[OH2:37].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[C:1](#[N:2])[c:3]1[c:4]([F:19])[cH:5][c:6]([CH2:7][n:8]2[cH:9][n:10][cH:11][c:12]2[CH2:13][C:14](=[O:16])[NH:22][CH2:23][c:24]2[c:25](-[c:30]3[cH:31][c:32]([OH:36])[cH:33][cH:34][cH:35]3)[cH:26][cH:27][cH:28][cH:29]2)[cH:17][cH:18]1
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참가 물질

9

반응물 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962WaterHCID 28486Lithium ionHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 184335762-[3-[(4-Cyano-3-fluorophenyl)methyl]imidazol-4-yl]acetate
HCID 22627091
3-[2-(Aminomethyl)phenyl]phenol

생성물 1

HCID 22627115N-(3'-hydroxybiphenyl-2-ylmethyl)-2-[3-(4-cyano-3-fluorobenzyl)-3H-imidazol-4-yl]acetamide

출처 및 근거

ORD 기록
ord-b262a274c7ca4ecea7ddd7cdc44c62b3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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