Hydrochloric Acid → 1-(4-(4,5-difluoroindoline-1-carbonyl)pyridin-2-yl)spiro[piperidine-4,4'-pyrido[2,3-d][1,3]-oxazin]-2'(1'H)-one

HRID 1212054Notes

Reaction equation

HRID 1212054 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[C:44](#[N:45])[CH3:46].[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][c:13]3[c:14]([F:20])[c:15]([F:19])[cH:16][cH:17][c:18]32)[cH:7]1.[ClH:21].[K+:42].[K+:43].[NH:22]1[C:23](=[O:37])[O:24][C:25]2([CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[c:31]2[c:32]1[n:33][cH:34][cH:35][cH:36]2.[OH2:47]>>[c:2]1([N:28]2[CH2:27][CH2:26][C:25]3([O:24][C:23](=[O:37])[NH:22][c:32]4[c:31]3[cH:36][cH:35][cH:34][n:33]4)[CH2:30][CH2:29]2)[n:3][cH:4][cH:5][c:6]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][c:13]3[c:14]([F:20])[c:15]([F:19])[cH:16][cH:17][c:18]32)[cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 56763854Spiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazin]-2'(1'H)-oneHCID 58117528(2-Chloro-pyridin-4-yl)-(4,5-difluoro-2,3-dihydro-indol-1-yl)-methanone

Product 1

HCID 498007981-(4-(4,5-difluoroindoline-1-carbonyl)pyridin-2-yl)spiro[piperidine-4,4'-pyrido[2,3-d][1,3]-oxazin]-2'(1'H)-one

Sources & evidence

ORD record
ord-aa2ecd7c113f423fb90594f89e2111de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…