Water → HCID 178436851, compound

HRID 2146547Notes

Reaction equation

HRID 2146547 reaction equation
[C:18](#[N:19])[N:20]=[C:21]1[S:22][CH2:23][CH2:24][NH:25]1.[CH2:27]([N:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[CH3:33].[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[O:1]1[CH:2]2[C:3]([CH2:14][CH3:15])([CH2:16][CH3:17])[O:4][c:5]3[c:6]([cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]3)[CH:7]12.[OH2:26]>>[OH:1][CH:2]1[C:3]([CH2:14][CH3:15])([CH2:16][CH3:17])[O:4][c:5]2[c:6]([cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]2)[CH:7]1[N:25]1[C:21](=[N:20][C:18]#[N:19])[S:22][CH2:23][CH2:24]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 147211883,4-epoxy-2,2-diethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrileHCID 178512079HCID 178512079, compound

Product 1

HCID 178436851HCID 178436851, compound

Sources & evidence

ORD record
ord-1c9f81150e634f5fac303cb918972282
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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