Chloride → 8-({5-Chloro-3-[(4-chloro-3-trifluoromethyl-benzenesulfonyl)-methoxymethyl-amino]-pyridin-2-yl}-hydroxy-methyl)-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester

HRID 309965Notes

Reaction equation

HRID 309965 reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([Cl:26])[cH:6][c:7]1[N:8]([S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([Cl:18])[cH:16][cH:17]1)[CH2:23][O:24][CH3:25].[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[N:39]1[CH2:40][CH2:41][O:42][c:43]2[c:44]1[cH:45][cH:46][cH:47][c:48]2[CH:49]=[O:50].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH:28]([Mg+:29])([CH3:30])[CH3:31].[Cl-:27]>>[c:2]1([CH:49]([c:48]2[c:43]3[c:44]([cH:45][cH:46][cH:47]2)[N:39]([C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[CH2:40][CH2:41][O:42]3)[OH:50])[n:3][cH:4][c:5]([Cl:26])[cH:6][c:7]1[N:8]([S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([Cl:18])[cH:16][cH:17]1)[CH2:23][O:24][CH3:25]

Participants

6

Reactant 5

HCID 312ChlorideHCID 8028TetrahydrofuranHCID 57942086N-(2-Bromo-5-chloro-pyridin-3-yl)-4-chloro-N-methoxvmethyl-3-trifluoromethyl-benzenesulfonamideHCID 57942605Tert-butyl 8-formyl-2,3-dihydro-4H-benzo[B][1,4]oxazine-4-carboxylateHCID 178461726HCID 178461726, compound

Product 1

HCID 666489408-({5-Chloro-3-[(4-chloro-3-trifluoromethyl-benzenesulfonyl)-methoxymethyl-amino]-pyridin-2-yl}-hydroxy-methyl)-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-c4a51baea01f45ffb06a40665ef6a0e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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