Acetonitrile → HCID 178522973, compound

HRID 99303Notes

Reaction equation

[CH2:58]([SiH:59]([CH2:60][CH3:61])[CH2:62][CH3:63])[CH3:64].[CH3:65][C:66]#[N:67].[O:1]=[c:2]1[nH:3][c:4]([C:12](=[O:13])[NH:14][CH2:15][c:16]2[cH:17][c:18]([O:22][CH2:23][CH2:24][CH2:25][O:26][c:27]3[n:28][n:29]([C:32]([c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[cH:30][n:31]3)[cH:19][cH:20][cH:21]2)[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[OH:51][C:52]([C:53]([F:54])([F:55])[F:56])=[O:57]>>[O:1]=[c:2]1[nH:3][c:4]([C:12](=[O:13])[NH:14][CH2:15][c:16]2[cH:17][c:18]([O:22][CH2:23][CH2:24][CH2:25][O:26][c:27]3[n:28][nH:29][cH:30][n:31]3)[cH:19][cH:20][cH:21]2)[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 6422Trifluoroacetic acid

HCID 12052Triethylsilane

HCID 1363809674-oxo-N-({3-[(3-{[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]oxy}propyl)oxy]phenyl}methyl)-3,4-dihydroquinazoline-2-carboxamide

Product 1

HCID 178522973HCID 178522973, compound

Sources & evidence

ORD record: ord-444d0098429d4e858b953613a75f5210
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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