Dichloromethane → 1-Acetyl-6-(2-[methylthio)ethylamino)carbonyl-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline

HRID 313178

Reaction equation

HRID 313178 reaction equation
[C:6]([CH3:7])(=[O:8])[N:9]1[C:10]([CH3:29])([CH3:30])[CH2:11][C:12]([CH3:22])([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:13]2[cH:14][c:15]([C:19](=[O:20])[OH:21])[cH:16][cH:17][c:18]21.[CH3:1][S:2][CH2:3][CH2:4][NH2:5].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:64][CH2:65][Cl:66].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[CH3:1][S:2][CH2:3][CH2:4][NH:5][C:19]([c:15]1[cH:14][c:13]2[c:18]([cH:17][cH:16]1)[N:9]([C:6]([CH3:7])=[O:8])[C:10]([CH3:29])([CH3:30])[CH2:11][C:12]2([CH3:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:20]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 87697(2-(Methylthio)ethyl)amineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 179628841-Acetyl-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline-6-carboxylic acid

Product 1

HCID 179629251-Acetyl-6-(2-[methylthio)ethylamino)carbonyl-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline

Sources & evidence

ORD record
ord-50c7dab0f44c4debaa78c1c086b2893b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

Loading…