Acetic Acid → HCID 57732834, compound

HRID 1543449Notes

Reaction equation

HRID 1543449 reaction equation
[C:5]([OH:6])(=[O:7])[CH3:8].[CH2:1]([CH:2]=[CH2:3])[NH2:4].[CH2:39]=[O:40].[CH2:9]([CH3:10])[S:11](=[O:12])(=[O:13])[N:14]1[CH2:15][CH2:16][CH:17]([c:20]2[cH:21][nH:22][c:23]3[c:24]([C:36](=[O:37])[NH2:38])[cH:25][c:26](-[c:29]4[cH:30][s:31][c:32]([CH:34]=[O:35])[cH:33]4)[cH:27][c:28]23)[CH2:18][CH2:19]1.[CH3:41][S:42]([CH3:43])=[O:44].[CH3:45][OH:46]>>[CH2:1]([CH:2]=[CH2:3])[N:4]([CH3:5])[CH2:34][c:32]1[s:31][cH:30][c:29](-[c:26]2[cH:25][c:24]([C:36](=[O:37])[NH2:38])[c:23]3[nH:22][cH:21][c:20]([CH:17]4[CH2:16][CH2:15][N:14]([S:11]([CH2:9][CH3:10])(=[O:12])=[O:13])[CH2:19][CH2:18]4)[c:28]3[cH:27]2)[cH:33]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 712FormaldehydeHCID 887MethanolHCID 7853AllylamineHCID 577327033-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-formyl-3-thienyl)-1H-indole-7-carboxamide

Product 1

HCID 57732834HCID 57732834, compound

Sources & evidence

ORD record
ord-f0055fb8edb04ac29daacf67aadf3042
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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