1-(5-fluoro-benzo[b]thiophen-3-ylmethyl)-3-[(methoxycarbonyl-methyl-amino)-methyl]-1H-indole-2-carboxylic acid ethyl ester → HCID 23582108, compound

HRID 212795Notes

Reaction equation

HRID 212795 reaction equation
[CH2:1]([O:2][C:3]([c:4]1[n:5]([CH2:6][c:7]2[c:8]3[cH:9][c:10]([F:11])[cH:12][cH:13][c:14]3[s:15][cH:16]2)[c:17]2[c:18]([c:19]1[CH:20]=[O:21])[cH:22][cH:23][cH:24][cH:25]2)=[O:26])[CH3:27].[CH2:28]([O:29][C:30]([c:31]1[n:32]([CH2:33][c:34]2[c:35]3[cH:36][c:37]([F:38])[cH:39][cH:40][c:41]3[s:42][cH:43]2)[c:44]2[c:45]([c:46]1[CH2:47][NH:48][CH3:49])[cH:50][cH:51][cH:52][cH:53]2)=[O:54])[CH3:55].[CH2:56]([CH3:57])[O:58][C:59](=[O:60])[c:61]1[n:62]([CH2:77][c:78]2[c:79]3[c:80]([s:81][cH:82]2)[cH:83][cH:84][c:85]([F:87])[cH:86]3)[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[c:69]1[CH2:70][N:71]([CH3:72])[C:73](=[O:74])[O:75][CH3:76]>>[O:58]=[C:59]([OH:60])[c:61]1[n:62]([CH2:77][c:78]2[c:79]3[c:80]([s:81][cH:82]2)[cH:83][cH:84][c:85]([F:87])[cH:86]3)[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[c:69]1[CH2:70][N:71]([CH3:72])[C:73](=[O:74])[O:75][CH3:76]

Participants

4

Reactant 3

HCID 685780461-(5-fluoro-benzo[b]thiophen-3-ylmethyl)-3-[(methoxycarbonyl-methyl-amino)-methyl]-1H-indole-2-carboxylic acid ethyl esterHCID 685792281-(5-fluoro-benzo[b]thiophen-3-ylmethyl)-3-methylaminomethyl-1H-indole-2-carboxylic acid ethyl esterHCID 866131951-(5-fluoro-benzo[b]thiophen-3-ylmethyl)-3-formyl-1H-indole-2-carboxylic acid ethyl ester

Product 1

HCID 23582108HCID 23582108, compound

Sources & evidence

ORD record
ord-1732966cee38451b978ceb3015633e7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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