Hydrochloric Acid → HCID 57840339, compound

HRID 1112937Notes

Reaction equation

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

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 3776Isopropanol

HCID 6342Acetonitrile

HCID 57840480tert-butyl N-[2-chloro-5-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]phenyl]carbamate

Product 1

HCID 57840339HCID 57840339, compound

Sources & evidence

ORD record: ord-e37a86a58a4a4546ad0defb906a5b62c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…