Hydrochloric Acid → 3-(4-chlorophenyl)-2,3-dihydro1H-naphtho[2,1-b][1,4]thiazine

HRID 1224495Notes

Reaction equation

HRID 1224495 reaction equation
[BH4-:23].[C:26](=[O:27])([O-:28])[O-:29].[CH3:38][OH:39].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9](=[O:22])[NH:10][c:11]3[c:12]([cH:14][cH:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]34)[S:13]2)[cH:6][cH:7]1.[ClH:25].[K+:30].[K+:31].[Na+:24].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[OH2:37]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][NH:10][c:11]3[c:12]([cH:14][cH:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]34)[S:13]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 28123BorohydrideHCID 189844403-(4-chlorophenyl)-1H-naphtho[2,1-b][1,4]thiazin-2(3H)-one

Product 1

HCID 189844023-(4-chlorophenyl)-2,3-dihydro1H-naphtho[2,1-b][1,4]thiazine

Sources & evidence

ORD record
ord-fb7b9b667a194f81a21133b6b55380e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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