Ethanol → 7-[4-(2-butoxyethoxy)phenyl]-1-cyclopropyl-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

HRID 178492Notes

Reaction equation

HRID 178492 reaction equation
[B:34]([O-:35])([O-:50])[O:51][c:36]1[cH:37][cH:38][c:39]([O:42][CH2:43][CH2:44][O:45][CH2:46][CH2:47][CH2:48][CH3:49])[cH:40][cH:41]1.[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[CH:7]=[C:8]([C:15](=[O:16])[NH:17][c:18]1[cH:19][cH:20][c:21]([CH2:24][N:25]([CH:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[CH3:32])[cH:22][cH:23]1)[CH2:9][CH2:10][N:11]2[CH:12]1[CH2:13][CH2:14]1.[C:52](=[O:53])([O-:54])[O-:55].[CH3:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[CH3:58][CH2:59][OH:60].[K+:56].[K+:57].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([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)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([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)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[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)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[c:2]1(-[c:36]2[cH:37][cH:38][c:39]([O:42][CH2:43][CH2:44][O:45][CH2:46][CH2:47][CH2:48][CH3:49])[cH:40][cH:41]2)[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[CH:7]=[C:8]([C:15](=[O:16])[NH:17][c:18]1[cH:19][cH:20][c:21]([CH2:24][N:25]([CH:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[CH3:32])[cH:22][cH:23]1)[CH2:9][CH2:10][N:11]2[CH:12]1[CH2:13][CH2:14]1

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium Cation2×HCID 1140TolueneHCID 19660Carbonate IonHCID 223290967-bromo-1-cyclopropyl-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamideHCID 867568154-Butoxyethoxyphenyl borateHCID 178420554HCID 178420554, compound

Product 1

HCID 223288907-[4-(2-butoxyethoxy)phenyl]-1-cyclopropyl-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-fbde5f12368c47c7a95c5556cd83cb90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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