Water → HCID 57815172, compound

HRID 108792Notes

Reaction equation

HRID 108792 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][c:8](=[O:18])[n:9]([CH2:12][CH:13]3[O:14][CH2:15][CH2:16][O:17]3)[c:10]2[cH:11]1.[C:19]([NH2:20])([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26].[C:27](=[O:28])([O-:29])[O-:30].[CH:138]([Cl:139])([Cl:140])[Cl:141].[Cs+:31].[Cs+:32].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:75]1[CH2:76][CH2:77][O:78][CH2:79][CH2:80]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:137].[Pd:81].[Pd:82].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[c:42]3[c:66]([cH:67][cH:68][cH:69]2)[C:63]([CH3:64])([CH3:65])[c:45]2[c:44]([c:49]([P:50]([c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[c:57]4[cH:58][cH:59][cH:60][cH:61][cH:62]4)[cH:48][cH:47][cH:46]2)[O:43]3)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[c:2]1([NH:20][C:19]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:3][n:4][c:5]2[cH:6][cH:7][c:8](=[O:18])[n:9]([CH2:12][CH:13]3[O:14][CH2:15][CH2:16][O:17]3)[c:10]2[cH:11]1

Participants

11

Reactant 10

HCID 962WaterHCID 6212ChloroformHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 77922tert-Butyl carbamateHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 578153037-bromo-1-(1,3-dioxolan-2-ylmethyl)-1,5-naphthyridin-2(1H)-one

Product 1

HCID 57815172HCID 57815172, compound

Sources & evidence

ORD record
ord-8eff4a0a254b4412b251416a69223035
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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