Imidazole → HCID 70637823, compound

HRID 114321Notes

Reaction equation

HRID 114321 reaction equation
[CH3:108][N:109]([CH3:110])[CH:111]=[O:112].[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7]([N+:14](=[O:15])[O-:16])[cH:8][c:9]([CH2:10][OH:11])[cH:12][cH:13]2)[cH:17][cH:18][c:19]([Cl:21])[cH:20]1.[Cl:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([O:32][CH2:33][c:34]2[cH:35][cH:36][c:37]([Cl:38])[cH:39][c:40]2[Cl:41])[c:42]([N+:43]([O-:44])=[O:45])[cH:46]1.[H-:52].[Na+:53].[S:22]([Cl:23])([Cl:24])=[O:25].[S:54](=[O:55])(=[O:56])([OH:57])[OH:58].[nH:47]1[cH:48][n:49][cH:50][cH:51]1.[nH:59]1[cH:60][cH:61][n:62][c:63]1[CH2:64][c:65]1[cH:66][cH:67][c:68]([C:69]2([Cl:70])[CH:71]=[CH:72][C:73]([CH2:74][O:75][CH2:76][C:77]3=[C:98]([Cl:99])[CH2:97][C:80]([Cl:81])([c:82]4[cH:83][cH:84][c:85]([CH2:86][c:87]5[nH:88][cH:89][cH:90][n:91]5)[cH:92][c:93]4[N+:94]([O-:95])=[O:96])[CH:79]=[CH:78]3)=[C:100]([Cl:101])[CH2:102]2)[c:103]([N+:104]([O-:105])=[O:106])[cH:107]1>>[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7]([N+:14](=[O:15])[O-:16])[cH:8][c:9]([CH2:10][c:48]3[nH:47][cH:51][cH:50][n:49]3)[cH:12][cH:13]2)[cH:17][cH:18][c:19]([Cl:21])[cH:20]1

Participants

10

Reactant 9

HCID 795ImidazoleHCID 923Sodium ionHCID 1118Sulfuric AcidHCID 6228DimethylformamideHCID 24386Thionyl ChlorideHCID 166653HydrideHCID 214816702,4-Dichloro-1-{[4-(chloromethyl)-2-nitrophenoxy]methyl}benzeneHCID 43319796{4-[(2,4-Dichlorophenyl)methoxy]-3-nitrophenyl}methanolHCID 86734464HCID 86734464, compound

Product 1

HCID 70637823HCID 70637823, compound

Sources & evidence

ORD record
ord-c39f6d07b0364daf82be6f8de55b2a84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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