tert-Butanol → HCID 67130069, compound

HRID 104069Notes

Reaction equation

HRID 104069 reaction equation
[C:84]([OH:85])([CH3:86])([CH3:87])[CH3:88].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[NH2:27].[Cl:1][c:2]1[n:3][c:4]([NH:11][c:12]2[n:13][nH:14][c:15]([CH:17]3[CH2:18][CH2:19]3)[cH:16]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][o:10]2.[O:30]=[C:31]([CH:32]=[CH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Pd:28].[Pd:29]>>[c:2]1([NH:27][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[n:3][c:4]([NH:11][c:12]2[n:13][nH:14][c:15]([CH:17]3[CH2:18][CH2:19]3)[cH:16]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][o:10]2

Participants

6

Reactant 5

HCID 6386tert-ButanolHCID 7504BenzylamineHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 86665109HCID 86665109, compound

Product 1

HCID 67130069HCID 67130069, compound

Sources & evidence

ORD record
ord-d5082228c75f46a4b73db37f82407486
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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