Isopropanol → HCID 178455639, compound

HRID 672371Notes

Reaction equation

HRID 672371 reaction equation
[C:25](#[N:26])[c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[N:33]=[C:34]=[O:35])[cH:36][cH:37]1.[CH2:1]([CH2:2][CH2:3][CH3:4])[S:5](=[O:6])(=[O:7])[NH:8][CH:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17][c:18]1[cH:19][cH:20][c:21]([NH2:24])[cH:22][cH:23]1.[CH3:42][C:43]#[N:44].[CH:38]([OH:39])([CH3:40])[CH3:41]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[S:5](=[O:6])(=[O:7])[NH:8][CH:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17][c:18]1[cH:19][cH:20][c:21]([NH:24][C:34]([NH:33][C:31]([c:30]2[cH:29][cH:28][c:27]([C:25]#[N:26])[cH:37][cH:36]2)=[O:32])=[O:35])[cH:22][cH:23]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 6342AcetonitrileHCID 149137394-Cyanobenzoyl isocyanateHCID 178455638HCID 178455638, compound

Product 1

HCID 178455639HCID 178455639, compound

Sources & evidence

ORD record
ord-e019c714cb7c4d5098d1993f2ee7a03c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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