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Dimethyl Sulfoxide → 4-Methyl-2-{6-chloro-2-[4-(3-trifluoromethoxyphenyl)-imidazol-1-yl]-pyrimidin-4-ylamino}-pentanoic acid (3-ethoxypropyl)amide

HRID 157926
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인쇄 미리보기

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HRID 157926 반응식
[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]([CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[NH:14][c:15]1[n:16][c:17]([Cl:22])[n:18][c:19]([Cl:21])[cH:20]1)=[O:23].[CH3:48][S:49]([CH3:50])=[O:51].[F-:46].[F:24][C:25]([O:26][c:27]1[cH:28][c:29](-[c:33]2[n:34][cH:35][nH:36][cH:37]2)[cH:30][cH:31][cH:32]1)([F:38])[F:39].[K+:40].[K+:41].[K+:47].[O-:42][C:43]([O-:44])=[O:45].[OH2:52]>>[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]([CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[NH:14][c:15]1[n:16][c:17](-[n:36]2[cH:35][n:34][c:33](-[c:29]3[cH:28][c:27]([O:26][C:25]([F:24])([F:38])[F:39])[cH:32][cH:31][cH:30]3)[cH:37]2)[n:18][c:19]([Cl:21])[cH:20]1)=[O:23]
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation3회HCID 962WaterHCID 19660Carbonate IonHCID 28179Fluoride IonHCID 235685972-(2,6-Dichloropyrimidin-4-ylamino)-4-methylpentanoic acid (3-ethoxypropyl)amideHCID 178506377HCID 178506377, 화합물

생성물 1

HCID 865921684-Methyl-2-{6-chloro-2-[4-(3-trifluoromethoxyphenyl)-imidazol-1-yl]-pyrimidin-4-ylamino}-pentanoic acid (3-ethoxypropyl)amide

출처 및 근거

ORD 기록
ord-002a3e4341824c90a2e0d6d48a978ab5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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