Hydrochloric Acid → tert-butyl N-[4-fluoro-2-[[4-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-5-nitropyrimidin-2-yl]amino]phenyl]carbamate

HRID 803805Notes

Reaction equation

HRID 803805 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[ClH:29].[F:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[n:18][cH:19][c:20]([N+:26](=[O:27])[O-:28])[c:21]([S:23][C:24]#[N:25])[n:22]2)[c:5]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[cH:6][cH:7]1.[F:30][c:31]1[cH:32][cH:33][cH:34][c:35]2[c:40]1[O:39][CH2:38][CH2:37][CH:36]2[NH2:41]>>[F:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[n:18][cH:19][c:20]([N+:26](=[O:27])[O-:28])[c:21]([NH:41][CH:36]3[c:35]4[cH:34][cH:33][cH:32][c:31]([F:30])[c:40]4[O:39][CH2:38][CH2:37]3)[n:22]2)[c:5]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 162444038-Fluorochroman-4-amineHCID 59704889tert-Butyl 4-fluoro-2-(5-nitro-4-thiocyanatopyrimidin-2-ylamino)phenylcarbamate

Product 1

HCID 66970498tert-butyl N-[4-fluoro-2-[[4-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-5-nitropyrimidin-2-yl]amino]phenyl]carbamate

Sources & evidence

ORD record
ord-0a26332aad0d4fc9b67dc9b9d612bbc1
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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