Acetonitrile → HCID 57843339, compound

HRID 134845Notes

Reaction equation

HRID 134845 reaction equation
[CH3:48][C:49]#[N:50].[Cl:1][c:2]1[c:3]([NH:31][S:32](=[O:33])(=[O:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[n:12][cH:13][c:14]([N:18]4[CH2:19][CH2:20][N:21]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:22][CH2:23]4)[n:15][c:16]3[cH:17]2)[cH:6][n:7]1.[OH:41][C:42]([C:43]([F:44])([F:45])[F:46])=[O:47]>>[Cl:1][c:2]1[c:3]([NH:31][S:32](=[O:33])(=[O:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[n:12][cH:13][c:14]([N:18]4[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]4)[n:15][c:16]3[cH:17]2)[cH:6][n:7]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 57843442HCID 57843442, compound

Product 1

HCID 57843339HCID 57843339, compound

Sources & evidence

ORD record
ord-f145cc4b54d34d04955f6403ccbd898f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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