Hydrochloric Acid → Ethyl 3-(2-chloro-3-pyridinyl)-3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylamino]-2-cyanoprop-2-enoate

HRID 1548099Notes

Reaction equation

HRID 1548099 reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cl:19][c:20]1[c:21]([CH2:30][CH2:31][NH2:32])[n:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1.[Cl:1][C:2](=[C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[C:9]#[N:10])[c:11]1[c:12]([Cl:17])[n:13][cH:14][cH:15][cH:16]1.[ClH:18].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[C:2](=[C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[C:9]#[N:10])([c:11]1[c:12]([Cl:17])[n:13][cH:14][cH:15][cH:16]1)[NH:32][CH2:31][CH2:30][c:21]1[c:20]([Cl:19])[cH:25][c:24]([C:26]([F:27])([F:28])[F:29])[cH:23][n:22]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 119619683-Chloro-5-(trifluoromethyl)-2-pyridineethanamineHCID 86654759Ethyl 3-chloro-3-(2-chloropyridin-3-yl)-2-cyanoacrylate

Product 1

HCID 76759587Ethyl 3-(2-chloro-3-pyridinyl)-3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylamino]-2-cyanoprop-2-enoate

Sources & evidence

ORD record
ord-e8e5b189ba1d4db2a66f77fb9a26bb92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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