Chloride → HCID 178471625, compound

HRID 137071Notes

Reaction equation

HRID 137071 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([NH:11][C:12]([C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[n:8][c:9]2[OH:10])[n:18][cH:19]1.[C:20](#[CH:21])[c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]([CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:42][cH:43]1.[CH3:64][C:65]#[N:66].[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[Cl-:63].[Pd:67]([Cl:68])[Cl:69].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[c:2]1([C:21]#[C:20][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]([CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:42][cH:43]2)[cH:3][c:4]2[c:5]([n:6][c:7]([NH:11][C:12]([C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[n:8][c:9]2[OH:10])[n:18][cH:19]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 6342AcetonitrileHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 24290Palladium ChlorideHCID 178436465HCID 178436465, compoundHCID 178447249HCID 178447249, compound

Product 1

HCID 178471625HCID 178471625, compound

Sources & evidence

ORD record
ord-4b18f5a793cd4fb98beebf99e9766195
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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