Ethanol → HCID 178483286, compound

HRID 138114Notes

Reaction equation

HRID 138114 reaction equation
[C:48]12([CH2:49][S:50]([OH:51])(=[O:52])=[O:53])[C:54]([CH3:55])([CH3:56])[CH:57]([CH2:58][CH2:59]1)[CH2:60][C:61]2=[O:62].[CH3:63][CH2:64][OH:65].[F:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:17])[N:18]=[C:19]=[S:20])[cH:13][cH:14]1.[NH2:21][c:22]1[cH:23][c:24]([F:47])[c:25]([O:26][c:27]2[n:28][cH:29][n:30][c:31]([NH:33][C:34](=[O:35])[N:36]3[CH2:37][CH:38]([CH2:41][N:42]([CH3:43])[CH3:44])[CH2:39][CH2:40]3)[cH:32]2)[cH:45][cH:46]1.[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[F:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:17])[NH:18][C:19](=[S:20])[NH:21][c:22]2[cH:23][c:24]([F:47])[c:25]([O:26][c:27]3[n:28][cH:29][n:30][c:31]([NH:33][C:34](=[O:35])[N:36]4[CH2:37][CH:38]([CH2:41][N:42]([CH3:43])[CH3:44])[CH2:39][CH2:40]4)[cH:32]3)[cH:45][cH:46]2)[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 702EthanolHCID 1140TolueneHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 231532482-(4-Fluorophenyl)acetyl isothiocyanateHCID 23153376N-[6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide

Product 1

HCID 178483286HCID 178483286, compound

Sources & evidence

ORD record
ord-4005e4c499c84423b2195801310a5634
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…