Water → HCID 67007775, compound

HRID 2344029Notes

Reaction equation

HRID 2344029 reaction equation
[C:25]([NH2:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1.[C:37](=[O:38])([O-:39])[O-:40].[CH2:135]1[O:136][CH2:137][CH2:138][O:139][CH2:140]1.[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[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]([NH:15][CH:16]([CH3:17])[c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[n:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][n:13][cH:14]2)[cH:7]1.[Cs+:41].[Cs+:42].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[OH2:134].[Pd:78].[Pd:79]>>[c:2]1(-[c:31]2[cH:30][cH:29][c:28]([C:25]([NH2:26])=[O:27])[cH:33][cH:32]2)[cH:3][c:4]([NH:15][CH:16]([CH3:17])[c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[n:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][n:13][cH:14]2)[cH:7]1

Participants

11

Reactant 10

HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 27378114-Aminocarbonylphenylboronic acidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 178463312HCID 178463312, compound

Product 1

HCID 67007775HCID 67007775, compound

Sources & evidence

ORD record
ord-5c99d06cba064e35bf4007169ea4390b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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