Water → HCID 87369947, compound

HRID 214013Notes

Reaction equation

HRID 214013 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:27][c:28]1[F:29])[O:6][c:7]1[c:8]([cH:22][cH:23][c:24]([F:26])[cH:25]1)[CH:9]1[N:10]2[CH2:11][CH2:12][CH2:13][CH:14]1[NH:15][C:16]([C:17]([F:18])([F:19])[F:20])=[O:21].[CH3:33][N:34]1[CH2:35][CH2:36][CH2:37][C:38]1=[O:39].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cu:30][C:31]#[N:32].[Cu:47][I:48].[OH2:40]>>[c:2]1([C:31]#[N:32])[cH:3][c:4]2[c:5]([cH:27][c:28]1[F:29])[O:6][c:7]1[c:8]([cH:22][cH:23][c:24]([F:26])[cH:25]1)[CH:9]1[N:10]2[CH2:11][CH2:12][CH2:13][CH:14]1[NH:15][C:16]([C:17]([F:18])([F:19])[F:20])=[O:21]

Participants

7

Reactant 6

HCID 962WaterHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 87369605HCID 87369605, compoundHCID 178418546HCID 178418546, compound

Product 1

HCID 87369947HCID 87369947, compound

Sources & evidence

ORD record
ord-4e08a0fd4977453684fdbf498fc1f31e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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