Dimethylformamide → 3-[4-(3-aminopyrrolidine-1-carbonyl)-2-(cyclopropylmethyl)-1-oxoisoquinolin-6-yl]-N-cyclopropyl-4-methylbenzamide

HRID 286228Notes

Reaction equation

HRID 286228 reaction equation
[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH3:31])[c:11](-[c:13]3[cH:14][c:15]4[c:16]([C:28](=[O:29])[OH:30])[cH:17][n:18]([CH2:24][CH:25]5[CH2:26][CH2:27]5)[c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[cH:12]2)[CH2:2][CH2:3]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[NH:32]1[CH2:33][CH:34]([NH2:37])[CH2:35][CH2:36]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH3:31])[c:11](-[c:13]3[cH:14][c:15]4[c:16]([C:28](=[O:29])[N:32]5[CH2:33][CH:34]([NH2:37])[CH2:35][CH2:36]5)[cH:17][n:18]([CH2:24][CH:25]5[CH2:26][CH2:27]5)[c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[cH:12]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1644013-AminopyrrolidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 575517606-(5-(Cyclopropylcarbamoyl)-2-methylphenyl)-2-(cyclopropylmethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

Product 1

HCID 674012643-[4-(3-aminopyrrolidine-1-carbonyl)-2-(cyclopropylmethyl)-1-oxoisoquinolin-6-yl]-N-cyclopropyl-4-methylbenzamide

Sources & evidence

ORD record
ord-76651f6d391c46cfad88854b5b226c4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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