Acetonitrile → HCID 57937324, compound

HRID 1555004Notes

Reaction equation

HRID 1555004 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][CH:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1)[cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[Cl:24])[cH:20]2.[CH3:37][N:38]([c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1)[CH3:45].[CH3:46][C:47]#[N:48].[NH:25]1[CH2:26][CH:27]([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:28]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][CH:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1)[cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[N:25]1[CH2:26][CH:27]([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:28]1)[cH:20]2

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 142844-(Dimethylamino)pyridineHCID 15194053-Aminoazetidine, 3-BOC protectedHCID 579372982-tert-Butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazole-5-sulfonyl chloride

Product 1

HCID 57937324HCID 57937324, compound

Sources & evidence

ORD record
ord-fd14fcc741c947c397a22a3bcd370b20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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