Isopropanol → HCID 44479931, compound

HRID 2320004Notes

Reaction equation

HRID 2320004 reaction equation
[Br:1][c:2]1[c:3]([CH3:15])[cH:4][c:5]([F:14])[c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12]2)[cH:13]1.[CH3:38][CH:39]([OH:40])[CH3:41].[CH:16]1([CH2:19][NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([B:28]3[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]3)[cH:26][cH:27]2)=[O:37])[CH2:17][CH2:18]1.[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([C:21]([NH:20][CH2:19][CH:16]3[CH2:17][CH2:18]3)=[O:37])[cH:27][cH:26]2)[c:3]([CH3:15])[cH:4][c:5]([F:14])[c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12]2)[cH:13]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 11483451N-Cyclopropylmethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamideHCID 18457818HCID 18457818, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 44479931HCID 44479931, compound

Sources & evidence

ORD record
ord-02199cfb0fa24a94ab67b2008ccc8ebc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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