Pyridine → HCID 178446173, compound

HRID 2160637Notes

Reaction equation

HRID 2160637 reaction equation
[CH2:1]([O:2][C:3]([c:4]1[c:5](=[O:6])[n:7]([CH2:8][CH2:9][CH:10]([CH3:11])[CH3:12])[n:13]2[cH:14][cH:15][cH:16][c:17]2[c:18]1[OH:19])=[O:20])[CH3:21].[CH3:38][S:39](=[O:40])(=[O:41])[NH:42][c:43]1[cH:44][c:45]([S:68]([NH2:69])(=[O:70])=[O:71])[c:46]([NH:49][C:50](=[O:51])[c:52]2[c:53]([OH:67])[c:54]3[n:55]([n:56]([CH2:59][CH2:60][CH:61]([CH3:62])[CH3:63])[c:57]2=[O:58])[cH:64][cH:65][cH:66]3)[cH:47][cH:48]1.[N:72]12[CH2:73][CH2:74][CH2:75][N:76]=[C:77]1[CH2:78][CH2:79][CH2:80][CH2:81][CH2:82]2.[NH2:22][c:23]1[cH:24][cH:25][c:26]([NH:27][S:28]([CH3:29])(=[O:30])=[O:31])[cH:32][c:33]1[S:34]([NH2:35])(=[O:36])=[O:37].[cH:83]1[cH:84][cH:85][n:86][cH:87][cH:88]1>>[CH3:38][S:39](=[O:40])(=[O:41])[NH:42][c:43]1[cH:44][c:45]2[c:46]([cH:47][cH:48]1)[NH:49][C:50]([c:52]1[c:53]([OH:67])[c:54]3[n:55]([n:56]([CH2:59][CH2:60][CH:61]([CH3:62])[CH3:63])[c:57]1=[O:58])[cH:64][cH:65][cH:66]3)=[N:69][S:68]2(=[O:70])=[O:71]

Participants

6

Reactant 5

HCID 1049PyridineHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 249506572-Amino-5-[(methylsulfonyl)amino]benzenesulfonamideHCID 598535874-Hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carboxylic acid ethyl esterHCID 866181834-Hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carboxylic acid (4-methanesulfonylamino-2-sulfamoyl-phenyl)-amide

Product 1

HCID 178446173HCID 178446173, compound

Sources & evidence

ORD record
ord-132e93ce22ab480aafdb59c11122f941
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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