Sulfuric Acid → isoquinoline-3-carboxylic acid [7-(1H-imidazol-2-ylcarbamoyl)-6-methoxy-1H-benzoimidazol-2-yl]-amide

HRID 139166

Reaction equation

HRID 139166 reaction equation
[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[NH2:66][c:67]1[nH:68][cH:69][cH:70][n:71]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[S:61]([OH:62])([OH:63])(=[O:64])=[O:65].[cH:1]1[n:2][c:3]([C:11](=[O:12])[NH:13][c:14]2[n:15][c:16]3[c:17]([nH:18]2)[cH:19][cH:20][c:21]([O:26][CH3:27])[c:22]3[C:23](=[O:24])[OH:25])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[cH:1]1[n:2][c:3]([C:11](=[O:12])[NH:13][c:14]2[nH:15][c:16]3[c:17]([n:18]2)[cH:19][cH:20][c:21]([O:26][CH3:27])[c:22]3[C:23](=[O:25])[NH:66][c:67]2[nH:68][cH:69][cH:70][n:71]2)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

8

Reactant 7

HCID 1118Sulfuric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 821402-AminoimidazoleHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 669407622-[(isoquinoline-3-carbonyl)-amino]-5-methoxy-1H-benzoimidazole-4-carboxylic acid

Product 1

HCID 178488011isoquinoline-3-carboxylic acid [7-(1H-imidazol-2-ylcarbamoyl)-6-methoxy-1H-benzoimidazol-2-yl]-amide

Sources & evidence

ORD record
ord-d595a73afd934172b6723305b37496a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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