Dimethylformamide → {2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-[4-(2-diethylamino-ethyl)-piperazin-1-yl]-methanone

HRID 316210Notes

Reaction equation

HRID 316210 reaction equation
[CH2:39]([CH3:40])[N:41]([CH2:42][CH2:43][N:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1)[CH2:50][CH3:51].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8](-[c:12]2[cH:13][c:14]3[c:15]([n:16][cH:17]2)[n:18]([S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]2)[cH:19][c:20]3-[c:21]2[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]2)[cH:9][c:10]1[F:11].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[NH2:1][c:2]1[c:3]([C:4](=[O:6])[N:47]2[CH2:46][CH2:45][N:44]([CH2:43][CH2:42][N:41]([CH2:39][CH3:40])[CH2:50][CH3:51])[CH2:49][CH2:48]2)[cH:7][c:8](-[c:12]2[cH:13][c:14]3[c:15]([n:16][cH:17]2)[n:18]([S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]2)[cH:19][c:20]3-[c:21]2[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]2)[cH:9][c:10]1[F:11]

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 2736105N,N-Diethyl-2-(piperazin-1-yl)ethan-1-amineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 577314302-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-benzoic acid

Product 1

HCID 57731559{2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-[4-(2-diethylamino-ethyl)-piperazin-1-yl]-methanone

Sources & evidence

ORD record
ord-cabe8b69a8e74a11a56718ef15b4a21b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…