Water → HCID 44556133, compound

HRID 670131Notes

Reaction equation

[CH3:44][Si:45]([CH3:46])([CH3:47])[C:48]#[N:49].[Cl:51][CH2:52][Cl:53].[F:1][C:2]([C:3](=[O:4])[NH:5][C:6]1([c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][c:19]4[cH:20][cH:21][n:22]5[c:23]([c:24]4[cH:25][c:26]3-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:33][n:34][c:35]5-[c:36]3[n:37][cH:38][cH:39][cH:40][n:41]3)[cH:15][cH:16]2)[CH2:7][C:8](=[O:10])[CH2:9]1)([F:42])[F:43].[I-:54].[I-:56].[OH2:50].[Zn+2:55]>>[F:1][C:2]([C:3](=[O:4])[NH:5][C:6]1([c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][c:19]4[cH:20][cH:21][n:22]5[c:23]([c:24]4[cH:25][c:26]3-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:33][n:34][c:35]5-[c:36]3[n:37][cH:38][cH:39][cH:40][n:41]3)[cH:15][cH:16]2)[CH2:7][C:8]([OH:10])([C:48]#[N:49])[CH2:9]1)([F:42])[F:43]

Participants

Reactant 6

HCID 962Water

HCID 6344Dichloromethane

HCID 30165Iodide Ion2×

HCID 32051Zinc(2+)

HCID 82115Trimethylsilyl cyanide

HCID 582298532,2,2-trifluoro-N-(3-oxo-1-{-4-[9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutyl)acetamide

Product 1

HCID 44556133HCID 44556133, compound

Sources & evidence

ORD record: ord-14b60433ab8b48a5aff74db580eb125b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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