Hydrochloric Acid → 7'-fluoro-1'-((3-(trifluoromethyl)pyridin-2-yl)methyl)-3,7-dihydro-2H-spiro[benzofuro[5,6-b][1,4]dioxine-8,3'-indolin]-2'-one

HRID 1215820Notes

Reaction equation

HRID 1215820 reaction equation
[CH3:58][c:59]1[cH:60][cH:61][c:62]([S:63]([O:64][CH2:65][CH:66]2[CH2:67][O:68][CH2:69][CH2:70][O:71]2)(=[O:72])=[O:73])[cH:74][cH:75]1.[Cl:46][CH2:47][c:48]1[n:49][cH:50][cH:51][cH:52][c:53]1[C:54]([F:55])([F:56])[F:57].[ClH:45].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[NH:8][C:9](=[O:23])[C:10]21[CH2:11][O:12][c:13]2[cH:14][c:15]3[c:16]([cH:21][c:22]21)[O:17][CH2:18][CH2:19][O:20]3.[NH:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29][cH:30]2)[C:31]2([c:32]3[cH:33][c:34]4[c:38]([cH:39][c:40]3[O:41][CH2:42]2)[O:37][CH2:36][O:35]4)[C:43]1=[O:44]>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[N:8]([CH2:47][c:48]1[n:49][cH:50][cH:51][cH:52][c:53]1[C:54]([F:55])([F:56])[F:57])[C:9](=[O:23])[C:10]21[CH2:11][O:12][c:13]2[cH:14][c:15]3[c:16]([cH:21][c:22]21)[O:17][CH2:18][CH2:19][O:20]3

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 183617372-(Chloromethyl)-3-(trifluoromethyl)pyridineHCID 53375495spiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-2'(1'H)-oneHCID 53966326(+/-)-(1,4-Dioxan-2-YL)methyl 4-methylbenzenesulfonateHCID 59352542HCID 59352542, compound

Product 1

HCID 593520897'-fluoro-1'-((3-(trifluoromethyl)pyridin-2-yl)methyl)-3,7-dihydro-2H-spiro[benzofuro[5,6-b][1,4]dioxine-8,3'-indolin]-2'-one

Sources & evidence

ORD record
ord-aa2949727d294f9da21be9bc5e43e682
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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