Benzene → HCID 54348876, compound

HRID 1543525Notes

Reaction equation

HRID 1543525 reaction equation
[CH3:12][N:13]([CH3:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH:29]1([CH:32]([CH3:33])[OH:34])[CH2:30][CH2:31]1.[Cl:21][C:22]([O:23][C:24]([Cl:25])([Cl:26])[Cl:27])=[O:28].[Cl:35][C:36](=[O:37])[O:38][N:39]=[C:40]([C:41]#[N:42])[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[OH:1][N:2]=[C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10]#[N:11].[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[cH:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1>>[CH:29]1([CH:32]([CH3:33])[O:34][C:36](=[O:37])[O:38][N:39]=[C:40]([C:41]#[N:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[CH2:30][CH2:31]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 949N,N-DimethylanilineHCID 1049PyridineHCID 10426DiphosgeneHCID 312751,4-DioxaneHCID 699982-(Hydroxyimino)-2-phenylacetonitrileHCID 791041-CyclopropylethanolHCID 536547752-Chlorocarbonyloxyimino-2-phenylacetonitrile

Product 1

HCID 54348876HCID 54348876, compound

Sources & evidence

ORD record
ord-5515dd2efa17427fabcbb3ac875b4760
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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