Hydrochloric Acid → N-[4-[2-(2-Dimethylamino-acetylamino)-ethoxy]-3-(2-methyl-2H-pyrazol-3-yl)-phenyl]-3-methoxy-benzamide

HRID 1202852Notes

Reaction equation

HRID 1202852 reaction equation
[CH3:1][N:2]([CH2:3][C:4](=[O:5])[OH:6])[CH3:7].[CH3:8][CH2:9][N:10]([CH2:11][CH3:12])[CH2:13][CH3:14].[Cl:67][CH2:68][Cl:69].[ClH:39].[ClH:70].[NH2:40][CH2:41][CH2:42][O:43][c:44]1[c:45](-[c:61]2[cH:62][cH:63][n:64][n:65]2[CH3:66])[cH:46][c:47]([NH:50][C:51]([c:52]2[cH:53][c:54]([O:58][CH3:59])[cH:55][cH:56][cH:57]2)=[O:60])[cH:48][cH:49]1.[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[CH3:1][N:2]([CH2:3][C:4](=[O:5])[NH:40][CH2:41][CH2:42][O:43][c:44]1[c:45](-[c:61]2[cH:62][cH:63][n:64][n:65]2[CH3:66])[cH:46][c:47]([NH:50][C:51]([c:52]2[cH:53][c:54]([O:58][CH3:59])[cH:55][cH:56][cH:57]2)=[O:60])[cH:48][cH:49]1)[CH3:7]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 673N,N-DimethylglycineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 46833678N-(4-(2-aminoethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)-3-methoxybenzamide

Product 1

HCID 57814700N-[4-[2-(2-Dimethylamino-acetylamino)-ethoxy]-3-(2-methyl-2H-pyrazol-3-yl)-phenyl]-3-methoxy-benzamide

Sources & evidence

ORD record
ord-5e0dfaa576f4426abd9e2cc3df52afcb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…