Hydrochloric Acid → 3-(Trifluoromethyl)phenyl (5',6'-dioxo-5',6'-dihydrospiro[cyclohexane-1,2'-naphtho[1,2-b][1,4]oxathiin]-4-yl)carbamate

HRID 1214653Notes

Reaction equation

HRID 1214653 reaction equation
[CH2:39]([N:40]([CH2:41][CH3:42])[CH2:43][CH3:44])[CH3:45].[Cl:24][C:25](=[O:26])[O:27][c:28]1[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]1.[ClH:1].[ClH:38].[NH2:2][CH:3]1[CH2:4][CH2:5][C:6]2([CH2:7][CH2:8]1)[CH2:9][S:10][C:11]1=[C:12]([O:13]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[C:20](=[O:23])[C:21]1=[O:22]>>[NH:2]([CH:3]1[CH2:4][CH2:5][C:6]2([CH2:7][CH2:8]1)[CH2:9][S:10][C:11]1=[C:12]([O:13]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[C:20](=[O:23])[C:21]1=[O:22])[C:25](=[O:26])[O:27][c:28]1[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]1

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 8471TriethylamineHCID 50574253-(Trifluoromethyl)phenyl chloroformateHCID 576619514'-aminospiro[3H-benzo[h][1,4]benzoxathiine-2,1'-cyclohexane]-5,6-dione

Product 1

HCID 576618523-(Trifluoromethyl)phenyl (5',6'-dioxo-5',6'-dihydrospiro[cyclohexane-1,2'-naphtho[1,2-b][1,4]oxathiin]-4-yl)carbamate

Sources & evidence

ORD record
ord-44bb9b09b9da4278bbc6621c964a0716
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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