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Imidazole → 2-[4-(octyloxy)phenyl]-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)acetoamide

HRID 1148813
Notes
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Reaction equation

HRID 1148813 reaction equation
[C:20]([n:21]1[cH:22][cH:23][n:24][cH:25]1)([n:26]1[cH:27][cH:28][n:29][cH:30]1)=[O:31].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][c:10]1[cH:11][cH:12][c:13]([CH2:16][C:17](=[O:18])[OH:19])[cH:14][cH:15]1.[H-:37].[NH2:39][c:40]1[s:41][s:42][c:43](=[S:45])[n:44]1.[Na+:38].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:51].[nH:32]1[cH:33][cH:34][n:35][cH:36]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][c:10]1[cH:11][cH:12][c:13]([CH2:16][C:17](=[O:19])[NH:39][c:40]2[s:41][s:42][c:43](=[S:45])[n:44]2)[cH:14][cH:15]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 795ImidazoleHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 682631,1'-CarbonyldiimidazoleHCID 166653HydrideHCID 2735329Xanthane hydride
HCID 12387351
2-[4-(Octyloxy)phenyl]acetic acid

Product 1

HCID 596805052-[4-(octyloxy)phenyl]-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)acetoamide

Sources & evidence

ORD record
ord-d5e8c89a428e45b4bfa0d3da7a608904
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes