Dichloromethane → methyl 2-[(4-fluorophenyl)methyl-[2-[7-(methanesulfonamido)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]acetyl]amino]cyclopentane-1-carboxylate

HRID 1211659Notes

Reaction equation

HRID 1211659 reaction equation
[CH3:19][S:20](=[O:21])(=[O:22])[NH:23][c:24]1[cH:25][c:26]2[c:27]([cH:38][cH:39]1)[NH:28][C:29]([CH2:34][C:35](=[O:36])[OH:37])=[N:30][S:31]2(=[O:32])=[O:33].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH:6]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[CH2:7][CH2:8][CH2:9]1.[CH:40]1([N:41]=[C:42]=[N:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[Cl:55][CH2:56][Cl:57]>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH:6]([N:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[C:35]([CH2:34][C:29]2=[N:30][S:31](=[O:32])(=[O:33])[c:26]3[cH:25][c:24]([NH:23][S:20]([CH3:19])(=[O:21])=[O:22])[cH:39][cH:38][c:27]3[NH:28]2)=[O:36])[CH2:7][CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 248585392H-1,2,4-Benzothiadiazine-3-acetic acid, 7-[(methylsulfonyl)amino]-, 1,1-dioxideHCID 576711952-(4-Fluoro-benzylamino)-cyclopentanecarboxylic acid methyl ester

Product 1

HCID 57671213methyl 2-[(4-fluorophenyl)methyl-[2-[7-(methanesulfonamido)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]acetyl]amino]cyclopentane-1-carboxylate

Sources & evidence

ORD record
ord-74e792d3939c4df0a156bad8c350b65a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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