Tetrahydrofuran → tert-butyl 4-(3-chloro-4-(N-(2-hydroxyethyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)benzoyl)piperazine-1-carboxylate

HRID 1562543Notes

Reaction equation

HRID 1562543 reaction equation
[CH2:77]1[O:78][CH2:79][CH2:80][CH2:81]1.[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[N:11]([C:12](=[O:13])[c:14]1[cH:15][c:16]2[c:17]([s:27]1)-[c:18]1[c:19]([cH:23][cH:24][cH:25][cH:26]1)[O:20][CH2:21][CH2:22]2)[CH2:28][CH2:29][OH:30].[N:64]1([C:70](=[O:71])[O:72][C:73]([CH3:74])([CH3:75])[CH3:76])[CH2:65][CH2:66][NH:67][CH2:68][CH2:69]1.[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:67]2[CH2:66][CH2:65][N:64]([C:70](=[O:71])[O:72][C:73]([CH3:74])([CH3:75])[CH3:76])[CH2:69][CH2:68]2)[cH:8][cH:9][c:10]1[N:11]([C:12](=[O:13])[c:14]1[cH:15][c:16]2[c:17]([s:27]1)-[c:18]1[c:19]([cH:23][cH:24][cH:25][cH:26]1)[O:20][CH2:21][CH2:22]2)[CH2:28][CH2:29][OH:30]

Participants

8

Reactant 7

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 143452tert-Butyl piperazine-1-carboxylateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 579003303-chloro-4-(N-(2-hydroxyethyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)benzoic acid

Product 1

HCID 86634847tert-butyl 4-(3-chloro-4-(N-(2-hydroxyethyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)benzoyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-e33bb6e45f7a4d7a980951fea6ea12fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…