Acetonitrile → HCID 178432719, compound

HRID 700168Notes

Reaction equation

HRID 700168 reaction equation
[CH3:17][c:18]1[s:19][c:20](-[c:24]2[c:25](=[O:35])[nH:26][c:27](=[O:34])[n:28]([CH2:30][CH2:31][CH:32]=[O:33])[cH:29]2)[c:21]([CH3:23])[n:22]1.[CH3:36][C:37]#[N:38].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]23[CH2:10][NH:11][CH2:12][CH:13]2[CH2:14]3)[cH:7][cH:8]1)([F:15])[F:16]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]23[CH2:10][N:11]([CH2:32][CH2:31][CH2:30][n:28]4[c:27](=[O:34])[nH:26][c:25](=[O:35])[c:24](-[c:20]5[s:19][c:18]([CH3:17])[n:22][c:21]5[CH3:23])[cH:29]4)[CH2:12][CH:13]2[CH2:14]3)[cH:7][cH:8]1)([F:15])[F:16]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 127198481-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexaneHCID 594483663-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]propanal

Product 1

HCID 178432719HCID 178432719, compound

Sources & evidence

ORD record
ord-159ccfb546814bc799a51428127d31b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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