Hydrochloric Acid → [3-[(6-Chloro-1,3-benzoxazol-2-yl)amino]pyrrolidin-1-yl]-(2-methylphenyl)methanone

HRID 106586

Reaction equation

HRID 106586 reaction equation
[B-:28]([F:29])([F:30])([F:31])[F:32].[CH3:18][c:19]1[c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25][cH:26][cH:27]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([NH:9][CH:10]3[CH2:11][NH:12][CH2:13][CH2:14]3)[o:8]2)[cH:15][cH:16]1.[ClH:17].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([NH:9][CH:10]3[CH2:11][N:12]([C:21]([c:20]4[c:19]([CH3:18])[cH:27][cH:26][cH:25][cH:24]4)=[O:22])[CH2:13][CH2:14]3)[o:8]2)[cH:15][cH:16]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 83732-Methylbenzoic acidHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 57748894(6-Chloro-benzooxazol-2-yl)-pyrrolidin-3-yl-amine

Product 1

HCID 68973492[3-[(6-Chloro-1,3-benzoxazol-2-yl)amino]pyrrolidin-1-yl]-(2-methylphenyl)methanone

Sources & evidence

ORD record
ord-99201394613547b4b03ba7ca0a09c6f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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