Potassium Cation → 6-(2-Aminomethylthiazol-4-yl)-3-(2,4-dichlorophenyl)-1,9-dimethyl-1,9-dihydropyrido[2,3-b]indol-2-one

HRID 88385Notes

Reaction equation

HRID 88385 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[NH:10][CH2:11][c:12]1[s:13][cH:14][c:15](-[c:17]2[cH:18][c:19]3[c:20]4[c:21]([n:22]([CH3:26])[c:23]3[cH:24][cH:25]2)[n:27]([CH3:40])[c:28](=[O:39])[c:29](-[c:31]2[c:32]([Cl:38])[cH:33][c:34]([Cl:37])[cH:35][cH:36]2)[cH:30]4)[n:16]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:41]1.[K+:50].[K+:51].[O-:52][C:53]([O-:54])=[O:55].[OH:56][C:57]([C:58]([F:59])([F:60])[F:61])=[O:62].[c:42]1([S:43][CH3:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[NH2:10][CH2:11][c:12]1[s:13][cH:14][c:15](-[c:17]2[cH:18][c:19]3[c:20]4[c:21]([n:22]([CH3:26])[c:23]3[cH:24][cH:25]2)[n:27]([CH3:40])[c:28](=[O:39])[c:29](-[c:31]2[c:32]([Cl:38])[cH:33][c:34]([Cl:37])[cH:35][cH:36]2)[cH:30]4)[n:16]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6422Trifluoroacetic acidHCID 7520ThioanisoleHCID 19660Carbonate IonHCID 66998447{4-[3-(2,4-dichlorophenyl)-1,9-dimethyl-2-oxo-2,9-dihydro-1H-pyrido[2,3-b]indol-6-yl]thiazol-2-ylmethyl}carbamic acid benzyl ester

Product 1

HCID 669981646-(2-Aminomethylthiazol-4-yl)-3-(2,4-dichlorophenyl)-1,9-dimethyl-1,9-dihydropyrido[2,3-b]indol-2-one

Sources & evidence

ORD record
ord-e7db83bc56c34ff295bb0cdd2aac19c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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