Hydrochloric Acid → Methyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoate

HRID 158218Notes

Reaction equation

HRID 158218 reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:33][C:34]([C:35](=[O:36])[OH:37])([CH3:38])[CH3:39])[c:9]([S:28][C:29]([CH3:30])([CH3:31])[CH3:32])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:13][cH:14][c:15]23)[cH:40][cH:41]1.[Cl:55][CH2:56][c:57]1[cH:58][cH:59][c:60]2[c:61]([cH:62][cH:63][cH:64][cH:65]2)[n:66]1.[ClH:54].[ClH:67].[Cs+:52].[Cs+:53].[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:33][C:34]([C:35](=[O:36])[O:37][CH3:45])([CH3:38])[CH3:39])[c:9]([S:28][C:29]([CH3:30])([CH3:31])[CH3:32])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:13][cH:14][c:15]23)[cH:40][cH:41]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate Ion2×HCID 203942-(Chloromethyl)quinolineHCID 60923QuiflaponHCID 104967Cesium cation2×

Product 1

HCID 15225389Methyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoate

Sources & evidence

ORD record
ord-1b7a1f1ec4564953afe767269411c5f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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