Water → (2-Chloro-4-{[2-({2-[2-(tetrahydro-2H-pyran-2-yloxy)ethoxy]ethoxy}methyl)phenyl]amino}phenyl)(2-methylphenyl)methanone

HRID 207284Notes

Reaction equation

HRID 207284 reaction equation
[Br:1][c:2]1[c:3]([CH2:4][O:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][O:11][CH:12]2[O:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:18][cH:19][cH:20][cH:21]1.[C:39](=[O:40])([O-:41])[O-:42].[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[Cs+:43].[Cs+:44].[NH2:22][c:23]1[cH:24][c:25]([Cl:38])[c:26]([C:29](=[O:30])[c:31]2[c:32]([CH3:37])[cH:33][cH:34][cH:35][cH:36]2)[cH:27][cH:28]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[OH2:51].[Pd:58].[Pd:59]>>[c:2]1([NH:22][c:23]2[cH:24][c:25]([Cl:38])[c:26]([C:29](=[O:30])[c:31]3[c:32]([CH3:37])[cH:33][cH:34][cH:35][cH:36]3)[cH:27][cH:28]2)[c:3]([CH2:4][O:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][O:11][CH:12]2[O:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:18][cH:19][cH:20][cH:21]1

Participants

10

Reactant 9

HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 99469012-(2-(2-((2-Bromobenzyl)oxy)ethoxy)ethoxy)tetrahydro-2H-pyranHCID 10988565(4-amino-2-chlorophenyl)(2-methylphenyl)Methanone

Product 1

HCID 10118970(2-Chloro-4-{[2-({2-[2-(tetrahydro-2H-pyran-2-yloxy)ethoxy]ethoxy}methyl)phenyl]amino}phenyl)(2-methylphenyl)methanone

Sources & evidence

ORD record
ord-6de737abb82e49c9ac52f4c77c54ba03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…