Hydrochloric Acid → HCID 178430241, compound

HRID 1227035Notes

Reaction equation

HRID 1227035 reaction equation
[Br:13][c:14]1[cH:15][cH:16][c:17]([CH2:19][N:20]2[CH2:21][CH:22]([CH3:33])[N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]2)[s:18]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[ClH:1].[K+:34].[K+:35].[NH2:2][CH2:3][c:4]1[cH:5][c:6]([B:10]([OH:11])[OH:12])[cH:7][cH:8][cH:9]1.[O-:36][C:37]([O-:38])=[O:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:46].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[NH2:2][CH2:3][c:4]1[cH:5][c:6](-[c:14]2[cH:15][cH:16][c:17]([CH2:19][N:20]3[CH2:21][CH:22]([CH3:33])[N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]3)[s:18]2)[cH:7][cH:8][cH:9]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 2773203(3-(Aminomethyl)phenyl)boronic acidHCID 178290566tert-Butyl 4-((5-bromothiophen-2-yl)methyl)-2-methylpiperazine-1-carboxylateHCID 178420554HCID 178420554, compound

Product 1

HCID 178430241HCID 178430241, compound

Sources & evidence

ORD record
ord-178ce601dba54879a649402922cbad51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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