Water → 3-[3-(4-Methylpiperazin-1-yl)-3-oxo-propyl]-1,5,6,7-tetrahydroindol-4-one

HRID 306390Notes

Reaction equation

HRID 306390 reaction equation
[C:16]([n:17]1[cH:18][cH:19][n:20][cH:21]1)([n:22]1[cH:23][cH:24][n:25][cH:26]1)=[O:27].[CH3:28][N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:44][CH2:45][Cl:46].[O:1]=[C:2]1[c:3]2[c:4]([CH2:11][CH2:12][C:13](=[O:14])[OH:15])[cH:5][nH:6][c:7]2[CH2:8][CH2:9][CH2:10]1.[OH2:47]>>[O:1]=[C:2]1[c:3]2[c:4]([CH2:11][CH2:12][C:13](=[O:15])[N:32]3[CH2:31][CH2:30][N:29]([CH3:28])[CH2:34][CH2:33]3)[cH:5][nH:6][c:7]2[CH2:8][CH2:9][CH2:10]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 682631,1'-CarbonyldiimidazoleHCID 81531DiisopropylethylamineHCID 158327213-(4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid

Product 1

HCID 225710693-[3-(4-Methylpiperazin-1-yl)-3-oxo-propyl]-1,5,6,7-tetrahydroindol-4-one

Sources & evidence

ORD record
ord-85435efc605b432a9ad8657b431b0307
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…