Dimethylformamide → N-[2-(benzylthio)-3,3-dimethoxypropyl]-1-(methoxymethyl)-7-[(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide

HRID 2320145Notes

Reaction equation

HRID 2320145 reaction equation
[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[S:33][CH:34]([CH2:35][NH2:36])[CH:37]([O:38][CH3:39])[O:40][CH3:41].[CH2:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH:47]([CH3:48])[CH3:49])[CH3:50].[CH3:1][O:2][CH2:3][n:4]1[c:5]([C:23](=[O:24])[OH:25])[cH:6][c:7]2[cH:8][cH:9][cH:10][c:11]([NH:13][S:14](=[O:15])(=[O:16])[c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)[c:12]12.[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[CH3:1][O:2][CH2:3][n:4]1[c:5]([C:23](=[O:24])[NH:36][CH2:35][CH:34]([S:33][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH:37]([O:38][CH3:39])[O:40][CH3:41])[cH:6][c:7]2[cH:8][cH:9][cH:10][c:11]([NH:13][S:14](=[O:15])(=[O:16])[c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)[c:12]12

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 574759902-(Benzylthio)-3,3-dimethoxypropan-1-amineHCID 574761691-(methoxymethyl)-7-[(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxylic acid

Product 1

HCID 59136068N-[2-(benzylthio)-3,3-dimethoxypropyl]-1-(methoxymethyl)-7-[(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide

Sources & evidence

ORD record
ord-e296a1574e834aaca0f1d0e54a42f99f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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