Hydrochloric Acid → 8-Benzyl-6,7,8,9-tetrahydropyrazino[2,3-f][1,4]oxazepin-3-amine

HRID 169085Notes

Reaction equation

HRID 169085 reaction equation
[C:56](=[O:57])([O-:58])[OH:59].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][O:11][c:12]2[c:13]([n:15][cH:16][c:17]([Cl:19])[n:18]2)[CH2:14]1.[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:45][Si:46]([N-:47][Si:50]([CH3:51])([CH3:52])[CH3:53])([CH3:48])[CH3:49].[CH:20]1([P:21]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[ClH:55].[Li+:54].[Na+:60].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:66].[Pd:67]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][O:11][c:12]2[c:13]([n:15][cH:16][c:17]([NH2:47])[n:18]2)[CH2:14]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 23938Palladium2×HCID 28486Lithium ionHCID 95417Dibenzylidene acetone3×HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 3280088Npc316347HCID 866489818-Benzyl-3-chloro-6,7,8,9-tetrahydropyrazino[2,3-f][1,4]oxazepine

Product 1

HCID 669931398-Benzyl-6,7,8,9-tetrahydropyrazino[2,3-f][1,4]oxazepin-3-amine

Sources & evidence

ORD record
ord-a526d6e7857d482db4e6d7a3da90eabb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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