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Imidazole → N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide

HRID 111181
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반응식

HRID 111181 반응식
[CH3:43][C:44]#[N:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([C:28]#[N:29])[c:10](-[c:16]3[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[CH:25]4[CH2:26][CH2:27]4)[cH:20][cH:21]3)[n:11]([CH2:14][CH3:15])[c:12]2[cH:13]1.[I-:30].[K+:32].[K+:33].[Na+:31].[O-:34][C:35]([O-:36])=[O:37].[OH2:52].[nH:38]1[cH:39][n:40][cH:41][cH:42]1>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([C:28]#[N:29])[c:10](-[c:16]3[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[CH:25]4[CH2:26][CH2:27]4)[cH:20][cH:21]3)[n:11]([CH2:14][CH3:15])[c:12]2[cH:13]1)[n:38]1[cH:39][n:40][cH:41][cH:42]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 795ImidazoleHCID 813Potassium Cation2회HCID 923Sodium IonHCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide Ion
HCID 59426127
Cyclopropanecarboxylic acid{4-[6-(2-chloroethoxy)-3-cyano-1-ethyl-1h-indol-2-yl]-phenyl}-amide

생성물 1

HCID 49772291N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide

출처 및 근거

ORD 기록
ord-45e91330803a47f884b17a99211a2ce6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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