Ammonia → 5-[(2'-oxospiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-1'(2'H)-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide

HRID 1128416Notes

Reaction equation

HRID 1128416 reaction equation
[CH3:2][C:3]([CH3:4])([CH3:5])[CH2:7][CH2:8][NH2:6].[CH3:68][OH:69].[NH3:1].[O:43]=[C:44]1[C:45]2([CH2:46][O:47][c:48]3[cH:49][c:50]4[c:51]([cH:52][c:53]32)[CH2:54][CH2:55][O:56]4)[c:57]2[c:58]([cH:59][cH:60][cH:61][cH:62]2)[N:63]1[CH2:64][C:65]([OH:66])=[O:67].[O:9]=[C:10]1[N:11]([CH2:30][c:31]2[cH:32][c:33]([C:40](=[O:41])[OH:42])[c:34]([C:36]([F:37])([F:38])[F:39])[o:35]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[C:18]12[CH2:19][O:20][c:21]1[c:22]2[cH:23][c:24]2[c:25]([cH:29]1)[O:26][CH2:27][O:28]2>>[NH2:6][C:40]([c:33]1[cH:32][c:31]([CH2:30][N:11]2[C:10](=[O:9])[C:18]3([c:17]4[c:12]2[cH:13][cH:14][cH:15][cH:16]4)[CH2:19][O:20][c:21]2[c:22]3[cH:23][c:24]3[c:25]([cH:29]2)[O:26][CH2:27][O:28]3)[o:35][c:34]1[C:36]([F:37])([F:38])[F:39])=[O:41]

Participants

6

Reactant 5

HCID 222AmmoniaHCID 887MethanolHCID 197093,3-DimethylbutylamineHCID 59263485(2'-oxo-5,6-dihydrospiro[benzo[1,2-b:5,4-b']difuran-3,3-indol]-1'(2'H)-yl)acetic acidHCID 685965505-((2'-oxo-6H-spiro[benzofuro[6,5-d][1,3]dioxole-7,3'-indoline]-1'-yl)methyl)-2-(trifluoromethyl)furan-3-carboxylic acid

Product 1

HCID 593523495-[(2'-oxospiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-1'(2'H)-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide

Sources & evidence

ORD record
ord-7faebff6d6974ca19221e857b5820a73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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