Dichloromethane → N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide

HRID 1540240Notes

Reaction equation

HRID 1540240 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([CH2:11][CH:12]([C:13](=[O:14])[NH:15][CH:16]([CH2:17][CH2:18][CH2:19][CH2:20][NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[C:29]([N:30]2[CH2:31][CH2:32][N:33]([c:36]3[cH:37][cH:38][n:39][cH:40][cH:41]3)[CH2:34][CH2:35]2)=[O:42])[NH:43][C:44](=[O:45])[N:46]2[CH2:47][CH2:48][CH:49]([c:52]3[c:53](=[O:62])[nH:54][c:55]4[cH:56][cH:57][cH:58][cH:59][c:60]4[cH:61]3)[CH2:50][CH2:51]2)[cH:5][c:6]2[cH:7][n:8][nH:9][c:10]12.[Cl:70][CH2:71][Cl:72].[OH:63][C:64]([C:65]([F:66])([F:67])[F:68])=[O:69]>>[CH3:1][c:2]1[cH:3][c:4]([CH2:11][CH:12]([C:13](=[O:14])[NH:15][CH:16]([CH2:17][CH2:18][CH2:19][CH2:20][NH2:21])[C:29]([N:30]2[CH2:31][CH2:32][N:33]([c:36]3[cH:37][cH:38][n:39][cH:40][cH:41]3)[CH2:34][CH2:35]2)=[O:42])[NH:43][C:44](=[O:45])[N:46]2[CH2:47][CH2:48][CH:49]([c:52]3[c:53](=[O:62])[nH:54][c:55]4[cH:56][cH:57][cH:58][cH:59][c:60]4[cH:61]3)[CH2:50][CH2:51]2)[cH:5][c:6]2[cH:7][n:8][nH:9][c:10]12

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178425592HCID 178425592, compound

Product 1

HCID 68685452N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide

Sources & evidence

ORD record
ord-32f53bb450924f4790da25c7f68c51be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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