Benzene → HCID 12909394, compound

HRID 2157039Notes

Reaction equation

HRID 2157039 reaction equation
[C-:24]#[N:25].[CH3:1][N:2]1[CH2:3][CH2:4][C:5](=[C:8]2[c:9]3[c:10]([cH:20][cH:21][cH:22][cH:23]3)[CH2:11][CH2:12][c:13]3[c:14]2[cH:15][c:16]([Br:19])[cH:17][cH:18]3)[CH2:6][CH2:7]1.[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[CH:34]([Cl:35])([Cl:36])[Cl:37].[Na:31][C:32]#[N:33].[OH2:44].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH3:1][N:2]1[CH2:3][CH2:4][C:5](=[C:8]2[c:9]3[c:10]([cH:20][cH:21][cH:22][cH:23]3)[CH2:11][CH2:12][c:13]3[c:14]2[cH:15][c:16]([C:26]#[N:27])[cH:17][cH:18]3)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 962WaterHCID 5975CyanideHCID 6212ChloroformHCID 6228DimethylformamideHCID 12909393HCID 12909393, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 12909394HCID 12909394, compound

Sources & evidence

ORD record
ord-24036e026f2542298f334d826abf4adf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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