Tetrahydrofuran → 3-Cyclobutyl-8-[(phenylmethyl)oxy]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carbonitrile

HRID 1556333Notes

Reaction equation

HRID 1556333 reaction equation
[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH:1]1([N:5]2[CH2:6][CH2:7][c:8]3[c:9]([cH:12][c:13]([O:17][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[c:14]([I:16])[cH:15]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1.[Cu:116][I:117].[Na:25][C:26]#[N:27].[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[CH:1]1([N:5]2[CH2:6][CH2:7][c:8]3[c:9]([cH:12][c:13]([O:17][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[c:14]([C:26]#[N:27])[cH:15]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 9980289HCID 9980289, compoundHCID 178420554HCID 178420554, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 103147283-Cyclobutyl-8-[(phenylmethyl)oxy]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carbonitrile

Sources & evidence

ORD record
ord-6198c65d571c4382949390b52e998ecc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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