Chloride → HCID 86630678, compound

HRID 1573452Notes

Reaction equation

HRID 1573452 reaction equation
[Br:1][c:2]1[cH:3][n:4][n:5]2[c:6]1[n:7][c:8](-[c:17]1[cH:18][cH:19][c:20]([CH:21]=[O:22])[cH:23][cH:24]1)[c:9](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[cH:10]2.[CH2:31]1[CH2:32][CH2:35][CH2:34][O:33]1.[CH2:37]([N+:38]([CH2:39][CH3:40])([CH2:41][CH3:42])[CH2:43][CH3:44])[CH3:45].[Cl-:36].[Cl:47][CH2:48][Cl:49].[K+:25].[K+:26].[O-:27][C:28]([O-:29])=[O:30].[OH2:46].[Pd:50]([Cl:51])[Cl:52].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[c:2]1([CH:31]=[CH2:32])[cH:3][n:4][n:5]2[c:6]1[n:7][c:8](-[c:17]1[cH:18][cH:19][c:20]([CH:21]=[O:22])[cH:23][cH:24]1)[c:9](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[cH:10]2

Participants

11

Reactant 10

HCID 312ChlorideHCID 813Potassium Cation2×HCID 962WaterHCID 5413TetraethylammoniumHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 86630675HCID 86630675, compound

Product 1

HCID 86630678HCID 86630678, compound

Sources & evidence

ORD record
ord-6f3c454c05cc42fb9a8120951a317e13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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