Ammonium → HCID 76667341, compound

HRID 675006Notes

Reaction equation

HRID 675006 reaction equation
[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37]([NH:38][c:39]1[cH:40][n:41][c:42]([S:46](=[O:47])(=[O:48])[CH3:49])[cH:43][c:44]1[I:45])=[O:50].[CH3:101][CH2:102][O:103][C:104](=[O:105])[CH3:106].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[Cl-:51].[Cl:1][c:2]1[cH:3][c:4]([S:21](=[O:22])(=[O:23])[CH3:24])[c:5]([C:8]([CH2:9][C:10]([CH2:11][C:12]#[CH:13])([OH:14])[C:15]([F:16])([F:17])[F:18])([CH3:19])[CH3:20])[cH:6][cH:7]1.[Cu:58][I:59].[NH4+:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[Pd:60]([Cl:61])[Cl:62].[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[Cl:1][c:2]1[cH:3][c:4]([S:21](=[O:22])(=[O:23])[CH3:24])[c:5]([C:8]([CH2:9][C:10]([CH2:11][C:12]#[C:13][c:44]2[c:39]([NH:38][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:50])[cH:40][n:41][c:42]([S:46](=[O:47])(=[O:48])[CH3:49])[cH:43]2)([OH:14])[C:15]([F:16])([F:17])[F:18])([CH3:19])[CH3:20])[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 44544528HCID 44544528, compoundHCID 76667352HCID 76667352, compound

Product 1

HCID 76667341HCID 76667341, compound

Sources & evidence

ORD record
ord-d8aaa368a41344e5aba6b438de4dd892
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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