Bicarbonate Ion → 5-{4-[(2-Methoxy-ethyl)-methyl-amino]-butoxy}-2,3-dihydro-indole-1-carbothioic acid O-(4-chloro-phenyl)ester

HRID 2316004Notes

Reaction equation

HRID 2316004 reaction equation
[Cl:21][c:22]1[cH:23][cH:24][c:25]([O:28][C:29](=[S:30])[Cl:31])[cH:26][cH:27]1.[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6]([O:10][CH2:11][CH2:12][CH2:13][CH2:14][N:15]([CH3:16])[CH2:17][CH2:18][O:19][CH3:20])[cH:7][cH:8][c:9]21.[Na+:36].[O-:32][C:33]([OH:34])=[O:35].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH2:43]>>[N:1]1([C:29]([O:28][c:25]2[cH:24][cH:23][c:22]([Cl:21])[cH:27][cH:26]2)=[S:30])[CH2:2][CH2:3][c:4]2[cH:5][c:6]([O:10][CH2:11][CH2:12][CH2:13][CH2:14][N:15]([CH3:16])[CH2:17][CH2:18][O:19][CH3:20])[cH:7][cH:8][c:9]21

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 312751,4-DioxaneHCID 70306O-p-Chlorophenyl chlorothioformateHCID 21966650[4-(2,3-Dihydro-1H-indol-5-yloxy)-butyl]-(2-methoxy-ethyl)-methyl-amine

Product 1

HCID 865870115-{4-[(2-Methoxy-ethyl)-methyl-amino]-butoxy}-2,3-dihydro-indole-1-carbothioic acid O-(4-chloro-phenyl)ester

Sources & evidence

ORD record
ord-93fceaa902d44001be4f424a2d4770b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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