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

HRID 684793

Reaction equation

HRID 684793 reaction equation
[CH3:40][N:41]([CH2:42][CH2:43][N:44]([c:45]1[s:46][c:47]2[c:48]([n:49]1)[cH:50][cH:51][c:52]([NH2:54])[cH:53]2)[CH3:55])[CH3:56].[CH3:69][OH:70].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:66][CH2:67][Cl:68].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:8][C:9](=[O:10])[OH:11])[cH:12][cH:13]1)([F:14])[F:15].[P-:16]([F:17])([F:18])([F:19])([F:20])([F:21])[F:22].[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:8][C:9](=[O:11])[NH:54][c:52]2[cH:51][cH:50][c:48]3[c:47]([s:46][c:45]([N:44]([CH2:43][CH2:42][N:41]([CH3:40])[CH3:56])[CH3:55])[n:49]3)[cH:53]2)[cH:12][cH:13]1)([F:14])[F:15]

Participants

8

Reactant 7

HCID 887MethanolHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 749403-[4-(Trifluoromethyl)phenyl]prop-2-enoic acidHCID 81531DiisopropylethylamineHCID 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 68774412N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}-3-(4-trifluoromethyl-phenyl)-acrylamide

Sources & evidence

ORD record
ord-e3052d62a1b34404b947b531e434ec39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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