Aniline → HCID 10131444, compound

HRID 211783Notes

Reaction equation

HRID 211783 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:9][c:10]2[n:11][c:12]([Cl:17])[n:13][c:14]([Cl:16])[n:15]2)[cH:7][cH:8]1.[CH3:34][C:35]#[N:36].[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[NH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:9][c:10]2[n:11][c:12]([Cl:17])[n:13][c:14]([NH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[n:15]2)[cH:7][cH:8]1

Participants

5

Reactant 4

HCID 6115AnilineHCID 6342AcetonitrileHCID 35312HCID 35312, compoundHCID 81531Diisopropylethylamine

Product 1

HCID 10131444HCID 10131444, compound

Sources & evidence

ORD record
ord-148515a8168c4e9792d146f4bab9a0c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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