Acetonitrile → HCID 58014727, compound

HRID 2131167Notes

Reaction equation

HRID 2131167 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][cH:19][c:20]([C:31](=[O:32])[NH2:33])[c:21]([NH:23][CH2:24][CH:25]4[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]4)[n:22]3)[cH:14][cH:15]2)[CH2:8][CH2:9]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][S:42]([Cl:43])(=[O:44])=[O:45].[CH3:46][C:47]#[N:48]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][cH:19][c:20]([C:31](=[O:32])[NH2:33])[c:21]([NH:23][CH2:24][CH:25]4[CH2:26][CH2:27][N:28]([S:42]([CH3:41])(=[O:44])=[O:45])[CH2:29][CH2:30]4)[n:22]3)[cH:14][cH:15]2)[CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 58014932HCID 58014932, compound

Product 1

HCID 58014727HCID 58014727, compound

Sources & evidence

ORD record
ord-984fe11f3dc2417eba6e236261543ae5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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