Hydrochloric Acid → 5-chloro-N-[7'-methoxy-2-[(2,2,2-trifluoroacetyl)amino]spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]pyridine-2-carboxamide

HRID 1150165Notes

Reaction equation

HRID 1150165 reaction equation
[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[Cl:29][c:30]1[cH:31][cH:32][c:33]([C:36](=[O:37])[OH:38])[n:34][cH:35]1.[Cl:61][CH2:62][Cl:63].[ClH:39].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([O:27][CH3:28])[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH:20][C:21]([C:22]([F:23])([F:24])[F:25])=[O:26])[O:18][CH2:19]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69].[OH:51][n:52]1[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([O:27][CH3:28])[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH:20][C:21]([C:22]([F:23])([F:24])[F:25])=[O:26])[O:18][CH2:19]1)[C:36]([c:33]1[cH:32][cH:31][c:30]([Cl:29])[cH:35][n:34]1)=[O:37]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 27628725-Chloro-2-picolinic acidHCID 87321218N-(2'-amino-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-yl)-2,2,2-trifluoroacetamide

Product 1

HCID 873219435-chloro-N-[7'-methoxy-2-[(2,2,2-trifluoroacetyl)amino]spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]pyridine-2-carboxamide

Sources & evidence

ORD record
ord-31fdb09554274d619ceba5d845ac4500
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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