1,2-Dichloroethane → 2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

HRID 175576Notes

Reaction equation

HRID 175576 reaction equation
[C:47](=[O:48])([OH:49])[O-:50].[CH2:33]([Cl:34])[CH2:35][Cl:36].[CH3:26][N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:1]1([NH:6][c:7]2[cH:8][c:9]([F:25])[cH:10][c:11]3[cH:12][c:13]([C:16]4=[N:20][CH:19]([CH2:21][C:22](=[O:23])[OH:24])[CH2:18][S:17]4)[nH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Na+:51].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[CH:1]1([NH:6][c:7]2[cH:8][c:9]([F:25])[cH:10][c:11]3[cH:12][c:13]([C:16]4=[N:20][CH:19]([CH2:21][C:22](=[O:23])[N:30]5[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]5)[CH2:18][S:17]4)[nH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 531671-MethylpiperazineHCID 757711-HydroxybenzotriazoleHCID 66974166HCID 66974166, compound

Product 1

HCID 669743772-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Sources & evidence

ORD record
ord-1c5dd90b3ffd4cbc997ce3562bc4b6cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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