Hydrochloric Acid → N-[(3-{[3-{[(5-chloro-2-thienyl)sulfonyl]amino}-4-(methyloxy)-1H-indazol-1-yl]methyl}phenyl)methyl]-4-methyl-3-morpholinecarboxamide

HRID 202184Notes

Reaction equation

HRID 202184 reaction equation
[CH3:2][N:3]1[CH:4]([C:9](=[O:10])[OH:11])[CH2:5][O:6][CH2:7][CH2:8]1.[CH3:76][C:77]#[N:78].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:79][CH2:80][Cl:81].[ClH:1].[ClH:45].[NH2:46][CH2:47][c:48]1[cH:49][c:50]([CH2:54][n:55]2[n:56][c:57]([NH:66][S:67](=[O:68])(=[O:69])[c:70]3[s:71][c:72]([Cl:75])[cH:73][cH:74]3)[c:58]3[c:59]([O:64][CH3:65])[cH:60][cH:61][cH:62][c:63]23)[cH:51][cH:52][cH:53]1.[OH2:82].[P-:12]([F:13])([F:14])([F:15])([F:16])([F:17])[F:18].[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[n:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[CH3:2][N:3]1[CH:4]([C:9](=[O:11])[NH:46][CH2:47][c:48]2[cH:49][c:50]([CH2:54][n:55]3[n:56][c:57]([NH:66][S:67](=[O:68])(=[O:69])[c:70]4[s:71][c:72]([Cl:75])[cH:73][cH:74]4)[c:58]4[c:59]([O:64][CH3:65])[cH:60][cH:61][cH:62][c:63]34)[cH:51][cH:52][cH:53]2)[CH2:5][O:6][CH2:7][CH2:8]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210165684-Methylmorpholine-3-carboxylic acidHCID 59455974HCID 59455974, compound

Product 1

HCID 59456050N-[(3-{[3-{[(5-chloro-2-thienyl)sulfonyl]amino}-4-(methyloxy)-1H-indazol-1-yl]methyl}phenyl)methyl]-4-methyl-3-morpholinecarboxamide

Sources & evidence

ORD record
ord-05ddeab0b2704f6ba7cc758ad9fd466a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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