Ammonia → Etravirine

HRID 1215930Notes

Reaction equation

HRID 1215930 reaction equation
[Br:1][c:2]1[c:3]([O:18][c:19]2[c:20]([CH3:28])[cH:21][c:22]([C:26]#[N:27])[cH:23][c:24]2[CH3:25])[n:4][c:5]([NH:9][c:10]2[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]2)[n:6][c:7]1[Cl:8].[CH2:30]1[O:31][CH2:32][CH2:33][O:34][CH2:35]1.[NH3:29].[OH2:36]>>[Br:1][c:2]1[c:3]([O:18][c:19]2[c:20]([CH3:28])[cH:21][c:22]([C:26]#[N:27])[cH:23][c:24]2[CH3:25])[n:4][c:5]([NH:9][c:10]2[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]2)[n:6][c:7]1[NH2:29]

Participants

5

Reactant 4

HCID 222AmmoniaHCID 962WaterHCID 312751,4-DioxaneHCID 117514166-Desamino 6-Chloro Etravirine

Product 1

HCID 193962Etravirine

Sources & evidence

ORD record
ord-f664b1b8bb5b4a8c9491cfba5f892e83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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