Dichloromethane → 6-[[3-[[4-(2-Aminoethyl)phenyl]carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide

HRID 2139369Notes

Reaction equation

HRID 2139369 reaction equation
[C:8]([NH2:9])(=[O:10])[c:11]1[cH:12][n:13][c:14]2[c:15]([CH3:58])[cH:16][c:17]([S:30](=[O:31])(=[O:32])[c:33]3[cH:34][c:35]([C:36](=[O:37])[NH:38][c:39]4[cH:40][cH:41][c:42]([CH2:43][CH2:44][NH:45][C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[cH:53][cH:54]4)[cH:55][cH:56][cH:57]3)[cH:18][c:19]2[c:20]1[NH:21][c:22]1[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]1.[Cl:59][CH2:60][Cl:61].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[C:8]([NH2:9])(=[O:10])[c:11]1[cH:12][n:13][c:14]2[c:15]([CH3:58])[cH:16][c:17]([S:30](=[O:31])(=[O:32])[c:33]3[cH:34][c:35]([C:36](=[O:37])[NH:38][c:39]4[cH:40][cH:41][c:42]([CH2:43][CH2:44][NH2:45])[cH:53][cH:54]4)[cH:55][cH:56][cH:57]3)[cH:18][c:19]2[c:20]1[NH:21][c:22]1[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 58505121tert-Butyl 4-[3-[[3-carbamoyl-4-[(3-methoxyphenyl)amino]-8-methylquinolin-6-yl]sulfonyl]benzamido]phenethylcarbamate

Product 1

HCID 585050736-[[3-[[4-(2-Aminoethyl)phenyl]carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide

Sources & evidence

ORD record
ord-b48debe4d40a404491216b2f203cea40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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