1-Butyne → HCID 69514008, compound

HRID 1228757Notes

Reaction equation

HRID 1228757 reaction equation
[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:14])[c:6]([C:11]#[C:12][CH3:13])[cH:7][c:8]([Cl:10])[cH:9]1)=[O:15].[CH3:20][O:21][C:22](=[O:23])[c:24]1[cH:25][c:26]([Cl:27])[cH:28][c:29]([I:30])[c:31]1[NH2:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH:16]#[C:17][CH2:18][CH3:19].[Cu:40][I:41].[Pd:42]([Cl:43])[Cl:44].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:14])[c:6]([C:11]#[C:12][CH2:13][CH3:16])[cH:7][c:8]([Cl:10])[cH:9]1)=[O:15]

Participants

8

Reactant 7

HCID 78461-ButyneHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 7020924Methyl 2-amino-5-chloro-3-iodobenzoateHCID 69343046HCID 69343046, compound

Product 1

HCID 69514008HCID 69514008, compound

Sources & evidence

ORD record
ord-bdd5b0b138c043ba9037bd8e67621dd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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