Acetate → HCID 86629605, compound

HRID 2126289Notes

Reaction equation

HRID 2126289 reaction equation
[C:27](#[N:28])[c:29]1[cH:30][cH:31][c:32]([CH2:33][NH2:34])[cH:35][cH:36]1.[C:83](=[O:84])([O-:85])[O-:86].[CH3:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2.[Cs+:87].[Cs+:88].[O-:101][C:102]([CH3:103])=[O:104].[O-:97][C:98]([CH3:99])=[O:100].[Pd+2:96].[cH:37]1[cH:38][cH:39][c:40]([P:41]([c:42]2[cH:43][cH:44][c:45]3[c:46]([cH:47][cH:48][cH:49][cH:50]3)[c:51]2-[c:52]2[c:53]3[c:54]([cH:55][cH:56][cH:57][cH:58]3)[cH:59][cH:60][c:61]2[P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82]1>>[Cl:1][c:2]1[c:3]([NH:34][CH2:33][c:32]2[cH:31][cH:30][c:29]([C:27]#[N:28])[cH:36][cH:35]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 826084-(Aminomethyl)benzonitrileHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 86629605HCID 86629605, compound

Sources & evidence

ORD record
ord-14c4c2c8e27d4acd8bf6eac55de841c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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