Dimethylformamide → Methyl 4-[[[5-methoxy-3-[(1-methylethyl)thio]benzo[b]thien-2yl]carbonyl]amino]benzoate

HRID 666901Notes

Reaction equation

HRID 666901 reaction equation
[C:30]1([C:31]2=[CH:41][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36][CH2:35][CH2:34][CH2:33][CH2:32]2)=[N:51][NH:50][CH2:49][CH2:48][CH2:47][CH2:46][CH2:45][CH2:44][CH2:43][CH2:42]1.[CH3:1][CH:2]([CH3:3])[SH:4].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:5][c:6]1[c:7]2[c:8]([s:9][c:10]1[C:11](=[O:12])[NH:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23]1)[cH:24][cH:25][c:26]([O:28][CH3:29])[cH:27]2.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[CH3:1][CH:2]([CH3:3])[S:4][c:6]1[c:7]2[c:8]([s:9][c:10]1[C:11](=[O:12])[NH:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23]1)[cH:24][cH:25][c:26]([O:28][CH3:29])[cH:27]2

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 63642-PropanethiolHCID 8857Ethyl AcetateHCID 19225607Methyl 4-[[[3-chloro-5-methoxybenzo[b]thien-2yl]carbonyl]amino]benzoateHCID 536302743-(Cycloundecen-1-yl)-1,2-diazacycloundec-2-ene

Product 1

HCID 18963770Methyl 4-[[[5-methoxy-3-[(1-methylethyl)thio]benzo[b]thien-2yl]carbonyl]amino]benzoate

Sources & evidence

ORD record
ord-aee040128c3349f98a79a0636dba2411
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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