Acetonitrile → HCID 69546047, compound

HRID 1221463Notes

Reaction equation

HRID 1221463 reaction equation
[C:1](=[O:2])([OH:3])[CH2:4][N:5]([CH2:6][CH:7]=[CH:8][C:9](=[O:10])[O:11][CH3:12])[S:13](=[O:14])(=[O:15])[c:16]1[cH:17][c:18]2[cH:19][cH:20][c:21]([Cl:26])[cH:22][c:23]2[cH:24][cH:25]1.[C:27]([NH:28][NH2:29])(=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35].[CH3:46][C:47]#[N:48].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[C:1](=[O:2])([CH2:4][N:5]([CH2:6][CH:7]=[CH:8][C:9](=[O:10])[O:11][CH3:12])[S:13](=[O:14])(=[O:15])[c:16]1[cH:17][c:18]2[cH:19][cH:20][c:21]([Cl:26])[cH:22][c:23]2[cH:24][cH:25]1)[NH:29][NH:28][C:27](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 70091tert-Butyl carbazateHCID 757711-HydroxybenzotriazoleHCID 69545711HCID 69545711, compound

Product 1

HCID 69546047HCID 69546047, compound

Sources & evidence

ORD record
ord-41a5ecec8fcd4844aaddef073af29aca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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