Dimethylformamide → 5-(4-Cyclopentyl-piperazine-1-carbonyl)-1H-indole-2-carboxylic acid (2,6-dimethyl-phenyl)-amide

HRID 670762Notes

Reaction equation

HRID 670762 reaction equation
[B-:58]([F:59])([F:60])([F:61])[F:62].[CH3:80][c:81]1[cH:82][cH:83][cH:84][c:85]([CH3:86])[c:87]1[NH2:88].[CH3:98][N:99]([CH3:100])[CH:101]=[O:102].[CH:1]1([N:6]2[CH2:7][CH2:8][N:9]([C:12](=[O:13])[c:14]3[cH:15][c:16]4[cH:17][c:18]([C:23](=[O:24])[OH:25])[nH:19][c:20]4[cH:21][cH:22]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:26]1([N:27]2[CH2:28][CH2:29][N:30]([C:31]([c:32]3[cH:33][c:34]4[c:35]([cH:36][cH:37]3)[nH:38][c:39]([C:40]([N:41]3[CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[CH2:47][CH2:48]3)=[O:49])[cH:50]4)=[O:51])[CH2:52][CH2:53]2)[CH2:54][CH2:55][CH2:56][CH2:57]1.[CH:89]([N:90]([CH2:91][CH3:92])[CH:93]([CH3:94])[CH3:95])([CH3:96])[CH3:97].[n:63]1([O:64][C:65]([N:66]([CH3:67])[CH3:68])=[N+:69]([CH3:70])[CH3:71])[c:72]2[cH:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[CH:1]1([N:6]2[CH2:7][CH2:8][N:9]([C:12](=[O:13])[c:14]3[cH:15][c:16]4[cH:17][c:18]([C:23](=[O:25])[NH:88][c:87]5[c:81]([CH3:80])[cH:82][cH:83][cH:84][c:85]5[CH3:86])[nH:19][c:20]4[cH:21][cH:22]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 68962,6-DimethylanilineHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 68680722[5-(4-Cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(1,1-dioxo-thiomorpholin-4-yl)-methanoneHCID 68681770HCID 68681770, compound

Product 1

HCID 866158035-(4-Cyclopentyl-piperazine-1-carbonyl)-1H-indole-2-carboxylic acid (2,6-dimethyl-phenyl)-amide

Sources & evidence

ORD record
ord-3b854a35780b4cb989dcac71f6b92649
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…