Bicarbonate Ion → N-[3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]-2-methylpropane-2-sulfonamide

HRID 2316474Notes

Reaction equation

HRID 2316474 reaction equation
[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([NH2:30])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[cH:18][cH:19]1.[CH3:40][C:41]([CH3:42])([CH3:43])[S:44](=[O:45])[Cl:46].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:47][c:48]1[cH:49][cH:50][cH:51][c:52]([C:53]([O:54][OH:56])=[O:55])[cH:57]1.[Cl:58][CH2:59][Cl:60].[Na+:71].[O-:67][C:68]([OH:69])=[O:70]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([NH:30][S:44]([C:41]([CH3:40])([CH3:42])[CH3:43])(=[O:45])=[O:55])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[cH:18][cH:19]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 70297m-Chloroperbenzoic acidHCID 81531DiisopropylethylamineHCID 46868612-Methylpropane-2-sulfinyl chlorideHCID 580098883-Ethyl-4-(6-tosyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentanamine

Product 1

HCID 77394356N-[3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]-2-methylpropane-2-sulfonamide

Sources & evidence

ORD record
ord-ef662a8cb23a494996b7467ca34e5cad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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