Ethanol → HCID 68428707, compound

HRID 1240665Notes

Reaction equation

[CH3:1][CH2:2][OH:3].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[Cl:6][c:7]1[cH:8][cH:9][c:10]2[c:16]([n:17]1)[O:15][CH2:14][CH2:13][N:12]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:11]2.[H-:4].[Na+:5].[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].[cH:25]1[cH:26][cH:27][c:28]([P:29]([c:30]2[cH:31][cH:32][c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[c:39]2-[c:40]2[c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[cH:47][cH:48][c:49]2[P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70]1>>[CH3:1][CH2:2][O:3][c:7]1[cH:8][cH:9][c:10]2[c:16]([n:17]1)[O:15][CH2:14][CH2:13][N:12]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:11]2

Participants

Reactant 9

HCID 23938Palladium2×

HCID 95417Dibenzylidene acetone3×

HCID 166653Hydride

HCID 634876Binap, (A+-)-

HCID 57356939Tert-butyl 8-chloro-2,3-dihydropyrido[3,2-F][1,4]oxazepine-4(5H)-carboxylate

Product 1

HCID 68428707HCID 68428707, compound

Sources & evidence

ORD record: ord-212beb2f0bd14a05a2538c9918743d93
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…