1-Butanol → HCID 67104624, compound

HRID 1138406Notes

Reaction equation

HRID 1138406 reaction equation
[Br:2][c:3]1[cH:4][c:5]2[c:6]([NH:18][c:19]3[c:20]([F:26])[cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[c:7]([C:15](=[O:16])[NH2:17])[n:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH2:86]([OH:87])[CH2:88][CH2:89][CH3:90].[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([C:35]2=[CH:36][CH2:37][N:38]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:39][CH2:40]2)[O:48]1.[CH:57]1([P:58]([CH:59]2[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2-[c:71]2[c:72]([O:73][CH3:74])[cH:75][cH:76][cH:77][c:78]2[O:79][CH3:80])[CH2:81][CH2:82][CH2:83][CH2:84][CH2:85]1.[ClH:1].[K+:54].[K+:55].[K+:56].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:130]=[C:131]([CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1)[CH:140]=[CH:141][c:142]1[cH:143][cH:144][cH:145][cH:146][cH:147]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[OH2:91].[P:49]([O-:50])([O-:51])([O-:52])=[O:53].[Pd:92].[Pd:93]>>[c:3]1([C:35]2=[CH:36][CH2:37][N:38]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:39][CH2:40]2)[cH:4][c:5]2[c:6]([NH:18][c:19]3[c:20]([F:26])[cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[c:7]([C:15](=[O:16])[NH2:17])[n:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]

Participants

11

Reactant 10

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 4642098Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylateHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 67083814HCID 67083814, compound

Product 1

HCID 67104624HCID 67104624, compound

Sources & evidence

ORD record
ord-18c002b9a0f841d89d93e443ec73bd43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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