HCID 22349875, compound → Hydrochloric Acid

HRID 1128591Notes

Reaction equation

HRID 1128591 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[n:16][c:17]([CH:31]([F:32])[F:33])[cH:18][c:19]([N:21]2[CH2:22][CH2:23][N:24]([CH2:27][CH2:28][CH2:29][Cl:30])[CH2:25][CH2:26]2)[n:20]1.[CH3:1][n:2]1[c:3]([SH:10])[n:4][n:5][c:6]1[CH:7]1[CH2:8][CH2:9]1>>[CH3:1][n:2]1[c:3]([S:10][CH2:29][CH2:28][CH2:27][N:24]2[CH2:23][CH2:22][N:21]([c:19]3[cH:18][c:17]([CH:31]([F:32])[F:33])[n:16][c:15]([C:11]([CH3:12])([CH3:13])[CH3:14])[n:20]3)[CH2:26][CH2:25]2)[n:4][n:5][c:6]1[CH:7]1[CH2:8][CH2:9]1.[ClH:30]

Participants

4

Reactant 2

HCID 22349875HCID 22349875, compoundHCID 178481681HCID 178481681, compound

Product 2

HCID 313Hydrochloric AcidHCID 666745582-Tert-butyl-4-[4-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]-6-(difluoromethyl)pyrimidine

Sources & evidence

ORD record
ord-4b5f5b232813495391eeb81d2c8a06da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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