(2-Thienylmethyl)amine → 4-[(2'-oxo-5,6-dihydrospiro[benzo[1,2-b:5,4-b']difuran-3,3'-indol]-1'(2'H)-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide

HRID 160819Notes

Reaction equation

HRID 160819 reaction equation
[CH:8]1([CH2:9][NH2:10])[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[O:16]=[C:17]1[N:18]([CH2:37][c:38]2[cH:39][cH:40][c:41]([C:42](=[O:43])[OH:44])[cH:45][cH:46]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[C:25]12[c:26]1[c:27]([cH:30][c:31]3[c:35]([cH:36]1)[CH2:34][CH2:33][O:32]3)[O:28][CH2:29]2.[O:47]=[C:48]1[C:49]2([CH2:50][O:51][c:52]3[cH:53][c:54]4[c:55]([cH:56][c:57]32)[CH2:58][CH2:59][O:60]4)[c:61]2[c:62]([cH:63][cH:64][cH:65][cH:66]2)[N:67]1[CH2:68][c:69]1[cH:70][c:71]([C:75]([OH:76])=[O:77])[cH:72][cH:73][cH:74]1.[s:1]1[c:2]([CH2:6][NH2:7])[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([CH2:6][NH:7][C:42]([c:41]2[cH:40][cH:39][c:38]([CH2:37][N:18]3[C:17](=[O:16])[C:25]4([c:24]5[c:19]3[cH:20][cH:21][cH:22][cH:23]5)[c:26]3[c:27]([cH:30][c:31]5[c:35]([cH:36]3)[CH2:34][CH2:33][O:32]5)[O:28][CH2:29]4)[cH:46][cH:45]2)=[O:43])[cH:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 34005(2-Thienylmethyl)amineHCID 76688CyclohexanemethylamineHCID 593522533-[(2'-oxo-5,6-dihydrospiro[benzo[1,2-b:5,4-b']difuran-3,3'-indol]-1'(2'H)-yl)methyl]benzoic acidHCID 593526094-[(2'-oxo-5,6-dihydrospiro[benzo[1,2-b:5,4-b']difuran-3,3'-indol]-1'(2'H)-yl)methyl]benzoic acid

Product 1

HCID 593526984-[(2'-oxo-5,6-dihydrospiro[benzo[1,2-b:5,4-b']difuran-3,3'-indol]-1'(2'H)-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide

Sources & evidence

ORD record
ord-7dc8606dbe9745579dea2b32b618afda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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