Ethanol → HCID 87612561, compound

HRID 209990Notes

Reaction equation

HRID 209990 reaction equation
[CH2:1]([O:2][c:4]1[c:5](=[O:16])[c:6](=[O:15])[c:7]1[NH:8][c:9]1[cH:10][n:11][cH:12][cH:13][cH:14]1)[CH3:3].[CH3:33][CH2:34][OH:35].[CH3:36][C:37]#[N:38].[Cl:17][c:18]1[cH:19][cH:20][c:21]([O:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH:28]([CH3:29])[NH2:30])[cH:31][cH:32]1.[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[c:4]1([NH:30][CH:28]([CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][O:22][c:21]2[cH:20][cH:19][c:18]([Cl:17])[cH:32][cH:31]2)[CH3:29])[c:5](=[O:16])[c:6](=[O:15])[c:7]1[NH:8][c:9]1[cH:10][n:11][cH:12][cH:13][cH:14]1

Participants

6

Reactant 5

HCID 702EthanolHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 105129913-(Pyridin-3-ylamino)-4-ethoxy-cyclobut-3-ene-1,2-dioneHCID 597815546-(4-Chlorophenoxy)-1-methyl-hexylamine

Product 1

HCID 87612561HCID 87612561, compound

Sources & evidence

ORD record
ord-030ca6ebf0104b5f9c9a7f2b08d5aba2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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