Hydrochloric Acid → 4'-{[3-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-2-oxoethyl)-6-ethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

HRID 684397Notes

Reaction equation

HRID 684397 reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:23][c:24]3[cH:25][cH:26][c:27](-[c:30]4[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]4)[cH:28][cH:29]3)[c:8](=[O:22])[n:9]([CH2:12][C:13](=[O:14])[c:15]3[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]3)[c:10]2=[O:11])[s:38]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45].[ClH:39].[Cs+:55].[Cs+:56].[OH2:57]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:23][c:24]3[cH:25][cH:26][c:27](-[c:30]4[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]4)[cH:28][cH:29]3)[c:8](=[O:22])[n:9]([CH2:12][C:13](=[O:14])[c:15]3[cH:16][cH:17][c:18]([O:21][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45])[cH:19][cH:20]3)[c:10]2=[O:11])[s:38]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 79012-Chloro-N,N-dimethylethylamineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 593517104'-{[6-ethyl-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 593516204'-{[3-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-2-oxoethyl)-6-ethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-d6d6a1cd25854715a4f876fbd5f85efc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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