Acetate → HCID 57863434, compound

HRID 92273Notes

Reaction equation

HRID 92273 reaction equation
[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][n:39]1.[CH:43]1([P:44]([CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2-[c:57]2[c:58]([O:59][CH3:60])[cH:61][cH:62][cH:63][c:64]2[O:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[Cl:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[cH:12][cH:13][c:14]([CH2:15][NH:16][C:17](=[O:18])[NH:19][c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[cH:30][cH:31]1)[cH:9][n:10]2.[Cl:92][CH2:93][Cl:94].[K+:77].[K+:78].[K+:79].[N:80]#[N:81].[O-:83][C:84]([CH3:85])=[O:86].[O-:87][C:88]([CH3:89])=[O:90].[O:95]1[CH2:96][CH2:97][O:98][CH2:99][CH2:100]1.[OH2:101].[OH2:91].[P:72]([O-:73])([O-:74])([O-:75])=[O:76].[Pd+2:82]>>[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([O:33][CH3:32])[n:39][cH:38]2)[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[cH:12][cH:13][c:14]([CH2:15][NH:16][C:17](=[O:18])[NH:19][c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[cH:30][cH:31]1)[cH:9][n:10]2

Participants

12

Reactant 11

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 947NitrogenHCID 962Water2×HCID 1061PhosphateHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734368(6-Methoxypyridin-3-yl)boronic acidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 685391571-[4-(7-Chloro-imidazo[1,2-a]pyridin-3-yl)-benzyl]-3-(3-trifluoromethyl-phenyl)-urea

Product 1

HCID 57863434HCID 57863434, compound

Sources & evidence

ORD record
ord-53999a2e26634fe18948ec9844eb0ea2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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