Acetonitrile → HCID 19003106, compound

HRID 674027Notes

Reaction equation

[CH2:16]([C:17]#[CH:18])[NH2:19].[CH3:20][C:21]#[N:22].[CH3:23][CH:24]([CH3:25])[O-:26].[CH3:28][CH:29]([CH3:30])[O-:31].[CH3:32][CH:33]([CH3:34])[O-:35].[CH3:36][CH:37]([CH3:38])[O-:39].[OH:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH3:11])[c:8]2[cH:9][cH:10]1)[C:12](=[O:15])[CH2:13][CH2:14]3.[Ti+4:27]>>[OH:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH3:11])[c:8]2[cH:9][cH:10]1)[C:12](=[N:19][CH2:16][C:17]#[CH:18])[CH2:13][CH2:14]3

Participants

Reactant 5

HCID 6342Acetonitrile

HCID 114942Titanium cation (4+)

HCID 239041Propargylamine

HCID 3260420Isopropanolate4×

HCID 15818737HCID 15818737, compound

Product 1

HCID 19003106HCID 19003106, compound

Sources & evidence

ORD record: ord-45714841cee34f949eb2a5a36cacc908
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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