Dichloromethane → HCID 5278408, compound

HRID 291971Notes

Reaction equation

HRID 291971 reaction equation
[CH2:32]([CH2:33][C:34]#[CH:35])[OH:36].[CH2:37]([NH:38][CH2:39][CH3:40])[CH3:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][n:12]([CH3:29])[c:13]3[c:14]([I:28])[cH:15][c:16]([CH2:21][CH:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[cH:17][c:18]3[c:19]2=[O:20])[cH:30][cH:31]1.[Cl:42][CH2:43][Cl:44].[Cu:45]([I:46])[I:47].[Pd:48]([Cl:49])[Cl:50].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][n:12]([CH3:29])[c:13]3[c:14]([C:35]#[C:34][CH2:33][CH2:32][OH:36])[cH:15][c:16]([CH2:21][CH:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[cH:17][c:18]3[c:19]2=[O:20])[cH:30][cH:31]1

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 8021DiethylamineHCID 11776Triphenylphosphine2×HCID 135663-Butyn-1-OLHCID 24290Palladium ChlorideHCID 83717Copper iodideHCID 22724547HCID 22724547, compound

Product 1

HCID 5278408HCID 5278408, compound

Sources & evidence

ORD record
ord-48b89cc3a0304eae8d451bfee11913fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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