Isopropanol → HCID 22402747, compound

HRID 162100Notes

Reaction equation

HRID 162100 reaction equation
[CH:29]([OH:30])([CH3:31])[CH3:32].[F:17][c:18]1[cH:19][c:20]([C:24]2([NH2:28])[CH2:25][CH2:26][CH2:27]2)[cH:21][cH:22][cH:23]1.[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][c:6]([NH:11][C:12]([OH:13])=[N:14][C:15]#[N:16])[cH:7][c:8]([I:10])[cH:9]1>>[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][c:6]([NH:11][C:12]([NH:14][C:15]#[N:16])=[N:28][C:24]2([c:20]3[cH:19][c:18]([F:17])[cH:23][cH:22][cH:21]3)[CH2:25][CH2:26][CH2:27]2)[cH:7][c:8]([I:10])[cH:9]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 22402750HCID 22402750, compoundHCID 178512409HCID 178512409, compound

Product 1

HCID 22402747HCID 22402747, compound

Sources & evidence

ORD record
ord-dccbebff804c48d7851ada99446bc76d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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