Dimethylformamide → HCID 178431188, compound

HRID 1146903Notes

Reaction equation

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

Participants

Reactant 4

HCID 6228Dimethylformamide

HCID 6342Acetonitrile

HCID 33905134-Amino-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile

HCID 178526073HCID 178526073, compound

Product 1

HCID 178431188HCID 178431188, compound

Sources & evidence

ORD record: ord-91cbcc2898a747d48459502fb3eb28cf
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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