Acetonitrile → HCID 14555456, compound

HRID 177907Notes

Reaction equation

HRID 177907 reaction equation
[CH3:21][C:22]([CH3:23])([CH3:24])[O:25][C:26]([NH:27][CH:28]([C:29]([NH:30][CH:31]1[CH2:32][NH:33][CH2:34][CH2:35]1)=[O:36])[CH3:37])=[O:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:46][C:47]#[N:48].[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([N:33]4[CH2:32][CH:31]([NH:30][C:29]([CH:28]([NH:27][C:26]([O:25][C:22]([CH3:21])([CH3:23])[CH3:24])=[O:38])[CH3:37])=[O:36])[CH2:35][CH2:34]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 5354141-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 14555449tert-Butyl {(S)-1-methyl-2-oxo-2-[(S)-pyrrolidin-3-ylamino]ethyl}carbamate

Product 1

HCID 14555456HCID 14555456, compound

Sources & evidence

ORD record
ord-f50ae9b9dc794ecfbc5c0edd8b3147df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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