1-Butanol → HCID 58709851, compound

HRID 2333978Notes

Reaction equation

HRID 2333978 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[Cl:22])[nH:23]2)=[CH:12][CH2:13]1.[C:59]([O:60][C:61]([O:62][C:63]([O:64][C:65]([CH3:66])([CH3:67])[CH3:68])=[O:69])=[O:70])([CH3:71])([CH3:72])[CH3:73].[CH2:83]([OH:84])[CH2:85][CH2:86][CH3:87].[CH3:88][S:89]([CH3:90])=[O:91].[CH:74]([N:75]([CH2:76][CH3:77])[CH:78]([CH3:79])[CH3:80])([CH3:81])[CH3:82].[NH:34]1[CH2:35][CH:36]=[C:37]([c:38]2[nH:39][c:40]3[n:41][cH:42][n:43][c:44]([O:45][n:46]4[c:47]5[n:48][cH:49][cH:50][cH:51][c:52]5[n:53][n:54]4)[c:55]3[cH:56]2)[CH2:57][CH2:58]1.[OH:24][n:25]1[n:26][n:27][c:28]2[c:29]1[n:30][cH:31][cH:32][cH:33]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[O:24][n:25]3[n:26][n:27][c:28]4[c:29]3[n:30][cH:31][cH:32][cH:33]4)[nH:23]2)=[CH:12][CH2:13]1

Participants

8

Reactant 7

HCID 2631-ButanolHCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 90495Di-tert-butyl dicarbonateHCID 181649HOAtHCID 58709797tert-butyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydropyridine-1(2H)-carboxylateHCID 58710090HCID 58710090, compound

Product 1

HCID 58709851HCID 58709851, compound

Sources & evidence

ORD record
ord-3475412c0d104f07ae27b4b5d17f0722
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…