Butylamine → Phenyl 4-methoxy-14-oxo-9-(6-trimethylsilylhex-3-en-1,5-diynyl)-15-oxa-8-azatetracyclo[8.4.1.01,10.02,7]pentadeca-2(7),3,5-triene-8-carboxylate
Reaction equation
[CH2:39]([NH2:40])[CH2:41][CH2:42][CH3:43].[Cl:30][CH:31]=[CH:32][C:33]#[C:34][Si:35]([CH3:36])([CH3:37])[CH3:38].[Cu:44][I:45].[Pd:46].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:1]1([O:7][C:8](=[O:9])[N:10]2[c:11]3[cH:12][cH:13][c:14]([O:28][CH3:29])[cH:15][c:16]3[C:17]34[C:18](=[O:27])[CH2:19][CH2:20][CH2:21][C:22]3([CH:23]2[C:24]#[CH:25])[O:26]4)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[c:1]1([O:7][C:8](=[O:9])[N:10]2[c:11]3[cH:12][cH:13][c:14]([O:28][CH3:29])[cH:15][c:16]3[C:17]34[C:18](=[O:27])[CH2:19][CH2:20][CH2:21][C:22]3([CH:23]2[C:24]#[C:25][CH:31]=[CH:32][C:33]#[C:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[O:26]4)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Reactant 6
HCID 8007Butylamine
HCID 11776Triphenylphosphine4×
HCID 23938Palladium
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 22401265N-[(Phenyloxy)carbonyl)-6a,10a-epoxy-6-ethynyl-2-methoxy-10-oxo-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
HCID 53822143(4-Chlorobut-3-en-1-yn-1-yl)(trimethyl)silaneProduct 1
Sources & evidence
- ORD record
- ord-ea96a31eb54c4fa0aed4998107b88d75
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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