Hydrochloric Acid → Hydrochloric Acid

HRID 114470Notes

Reaction equation

HRID 114470 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:42][OH:43].[CH:2]1([C:8]2([OH:36])[C:9]([CH3:34])([CH3:35])[O:10][c:11]3[c:12]2[c:13]([CH3:33])[c:14]([N:19]2[CH2:20][CH2:21][N:22]([c:25]4[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]4)[CH2:23][CH2:24]2)[c:15]([CH3:18])[c:16]3[CH3:17])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[ClH:1]>>[C:2]1(=[C:8]2[C:9]([CH3:34])([CH3:35])[O:10][c:11]3[c:12]2[c:13]([CH3:33])[c:14]([N:19]2[CH2:20][CH2:21][N:22]([c:25]4[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]4)[CH2:23][CH2:24]2)[c:15]([CH3:18])[c:16]3[CH3:17])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[ClH:1]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 8028TetrahydrofuranHCID 101627441-(3-Cyclohexyl-3-hydroxy-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)-4-(4-methoxyphenyl)piperazine

Product 2

HCID 313Hydrochloric AcidHCID 102265081-(3-Cyclohexylidene-2,2,4,6,7-pentamethyl-1-benzofuran-5-yl)-4-(4-methoxyphenyl)piperazine

Sources & evidence

ORD record
ord-4b9b5046a01b48d68a9f9a1f2a0b9bfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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