1,2-Dichloroethane → HCID 178509916, compound

HRID 115126Notes

Reaction equation

HRID 115126 reaction equation
[CH2:35]([Cl:36])[CH2:37][Cl:38].[CH3:87][N:88]([CH3:89])[CH:90]=[O:91].[CH3:92][CH2:93][O:94][C:95](=[O:96])[CH3:97].[N:23]([c:24]1[nH:25][c:26]([C:27]([OH:28])=[O:29])[c:30]([Cl:31])[n:32]1)=[N+:33]=[N-:34].[N:54](=[N+:55]=[N-:56])[c:57]1[nH:58][c:59]([Cl:86])[c:60]([C:62](=[O:63])[NH:64][CH2:65][c:66]2[c:67]([F:85])[c:68]([O:75][c:76]3[cH:77][c:78]([Cl:84])[cH:79][c:80]([C:82]#[N:83])[cH:81]3)[c:69]([CH:72]([F:73])[F:74])[cH:70][cH:71]2)[n:61]1.[NH2:1][CH2:2][c:3]1[c:4]([F:5])[c:6]([O:7][c:8]2[cH:9][c:10]([C:15]#[N:16])[cH:11][c:12]([Cl:13])[cH:14]2)[c:17]([CH:18]([F:19])[F:20])[cH:21][cH:22]1.[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[NH2:54][c:57]1[n:58][c:59]([Cl:86])[c:60]([C:62](=[O:63])[NH:64][CH2:65][c:66]2[c:67]([F:85])[c:68]([O:75][c:76]3[cH:77][c:78]([Cl:84])[cH:79][c:80]([C:82]#[N:83])[cH:81]3)[c:69]([CH:72]([F:73])[F:74])[cH:70][cH:71]2)[nH:61]1

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 684803913-{[3-(Aminomethyl)-6-(difluoromethyl)-2-fluorophenyl]oxy}-5-chlorobenzonitrileHCID 866449322-azido-5-chloro-N-{[3-[(3-chloro-5-cyanophenyl)oxy]-4-(difluoromethyl)-2-fluorophenyl]methyl}-1H-imidazole-4-carboxamideHCID 1785145302-azido-4-chloro-1H-imidazole-5-carboxylic acid

Product 1

HCID 178509916HCID 178509916, compound

Sources & evidence

ORD record
ord-af6a3ad214694c22a52961bc04972a12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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