Methanol → N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}-3-(4-fluoro-phenyl)-acrylamide

HRID 2340573Notes

Reaction equation

HRID 2340573 reaction equation
[CH3:37][N:38]([CH2:39][CH2:40][N:41]([c:42]1[s:43][c:44]2[c:45]([n:46]1)[cH:47][cH:48][c:49]([NH2:51])[cH:50]2)[CH3:52])[CH3:53].[CH3:66][OH:67].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[Cl:63][CH2:64][Cl:65].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[CH:7][C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[CH:7][C:8](=[O:10])[NH:51][c:49]2[cH:48][cH:47][c:45]3[c:44]([s:43][c:42]([N:41]([CH2:40][CH2:39][N:38]([CH3:37])[CH3:53])[CH3:52])[n:46]3)[cH:50]2)[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 887MethanolHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 980703-(4-Fluorophenyl)-2-propenoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 55226563N2-(2-Dimethylamino-ethyl)-N2-methyl-benzothiazole-2,6-diamine

Product 1

HCID 68775363N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}-3-(4-fluoro-phenyl)-acrylamide

Sources & evidence

ORD record
ord-9a951d53078843319357ff42a3367daa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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