Acetonitrile → HCID 23150320, compound

HRID 694097Notes

Reaction equation

HRID 694097 reaction equation
[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:40][C:41]#[N:42].[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[OH:1][CH2:2][CH2:3][C:4]#[C:5][c:6]1[cH:7][cH:8][c:9]([O:10][CH2:11][CH2:12][CH2:13][N:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[cH:20][cH:21]1.[S:29](=[O:30])(=[O:31])([c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1)[Cl:39]>>[O:1]([CH2:2][CH2:3][C:4]#[C:5][c:6]1[cH:7][cH:8][c:9]([O:10][CH2:11][CH2:12][CH2:13][N:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[cH:20][cH:21]1)[S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 73974-Toluenesulfonyl chlorideHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 57672010HCID 57672010, compound

Product 1

HCID 23150320HCID 23150320, compound

Sources & evidence

ORD record
ord-0bf199a4ccc341e99aab8db971940b89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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