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Imidazole → 3-{4-[(4-fluorobenzyl)oxy]phenyl}-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)acrylamide

HRID 213182
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반응식

HRID 213182 반응식
[C:21]([n:22]1[cH:23][cH:24][n:25][cH:26]1)([n:27]1[cH:28][cH:29][n:30][cH:31]1)=[O:32].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][cH:10][c:11]([CH:14]=[CH:15][C:16](=[O:17])[OH:18])[cH:12][cH:13]2)[cH:19][cH:20]1.[H-:38].[NH2:40][c:41]1[s:42][s:43][c:44](=[S:46])[n:45]1.[Na+:39].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:52].[nH:33]1[cH:34][cH:35][n:36][cH:37]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][cH:10][c:11]([CH:14]=[CH:15][C:16](=[O:17])[NH:40][c:41]3[s:42][s:43][c:44](=[S:46])[n:45]3)[cH:12][cH:13]2)[cH:19][cH:20]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 795ImidazoleHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 682631,1'-CarbonyldiimidazoleHCID 166653HydrideHCID 8053823-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic Acid
HCID 2735329
Xanthane hydride

생성물 1

HCID 723564373-{4-[(4-fluorobenzyl)oxy]phenyl}-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)acrylamide

출처 및 근거

ORD 기록
ord-bc92e560fea94425ad9f56ade50a2fd9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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