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1,2-Dichloroethane → N-{2-[3-(4-Cyano-3-fluoro-benzyl)-2-methyl-3H-imidazol-4-yl]-ethyl}-5-hydroxy-2-iodobenzamide

HRID 1210348
Notes
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Reaction equation

HRID 1210348 reaction equation
[CH2:51]([Cl:52])[CH2:53][Cl:54].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[ClH:1].[ClH:2].[NH2:3][CH2:4][CH2:5][c:6]1[cH:7][n:8][c:9]([CH3:21])[n:10]1[CH2:11][c:12]1[cH:13][c:14]([F:20])[c:15]([C:16]#[N:17])[cH:18][cH:19]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:33].[OH2:60].[OH:22][c:23]1[cH:24][cH:25][c:26]([I:32])[c:27]([C:28](=[O:29])[OH:30])[cH:31]1.[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[NH:3]([CH2:4][CH2:5][c:6]1[cH:7][n:8][c:9]([CH3:21])[n:10]1[CH2:11][c:12]1[cH:13][c:14]([F:20])[c:15]([C:16]#[N:17])[cH:18][cH:19]1)[C:28]([c:27]1[c:26]([I:32])[cH:25][cH:24][c:23]([OH:22])[cH:31]1)=[O:29]
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 962Water2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 12380035-Hydroxy-2-iodobenzoic acid
HCID 22627112
4-[[5-(2-Aminoethyl)-2-methylimidazol-1-yl]methyl]-2-fluorobenzonitrile

Product 1

HCID 22627100N-{2-[3-(4-Cyano-3-fluoro-benzyl)-2-methyl-3H-imidazol-4-yl]-ethyl}-5-hydroxy-2-iodobenzamide

Sources & evidence

ORD record
ord-79c279bec354421e8124ec0bcfdd7f2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes