Hydrochloric Acid → 4-(4-anilino-1,3,5-triazin-2-yl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide

HRID 1544820Notes

Reaction equation

HRID 1544820 reaction equation
[CH3:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[ClH:52].[NH2:53][CH:54]([CH2:55][OH:56])[c:57]1[cH:58][c:59]([Cl:63])[cH:60][cH:61][cH:62]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:22][c:23]1[c:24]2[n:25][n:26][nH:27][c:28]2[cH:29][cH:30][cH:31]1.[c:1]1([NH:7][c:8]2[n:9][c:10](-[c:14]3[cH:15][c:16]([C:19](=[O:20])[OH:21])[nH:17][cH:18]3)[n:11][cH:12][n:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][c:8]2[n:9][c:10](-[c:14]3[cH:15][c:16]([C:19](=[O:21])[NH:53][CH:54]([CH2:55][OH:56])[c:57]4[cH:58][c:59]([Cl:63])[cH:60][cH:61][cH:62]4)[nH:17][cH:18]3)[n:11][cH:12][n:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 10953980beta-Amino-3-chlorobenzeneethanolHCID 597678014-(4-Phenylamino-[1,3,5]triazin-2-yl)-1H-pyrrole-2-carboxylic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 597678234-(4-anilino-1,3,5-triazin-2-yl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide

Sources & evidence

ORD record
ord-b34a5529232f47068494e5f154c563d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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