Tetrahydrofuran → 2-(8-Methyl-2,7-dioxo-5,6,7,8-tetrahydro-4H-imidazo[1,5,4-fg][1,6]benzodiazocin-1(2H)-yl)-N-(2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[c]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-3-yl)acetamide

HRID 1227978Notes

Reaction equation

HRID 1227978 reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:1][CH:2]1[C:3](=[O:21])[CH2:4][CH2:5][NH:6][C:7]2=[CH:15][C:14](=[O:16])[CH:13]([CH2:17][C:18](=[O:19])[OH:20])[c:12]3[c:8]2[n:9]1[cH:10][n:11]3.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[NH2:22][c:23]1[cH:24][c:25]2[c:26]([cH:27][n:28]1)[CH2:29][C:30]1([CH2:31]2)[C:32](=[O:40])[NH:33][c:34]2[n:35][cH:36][cH:37][cH:38][c:39]21>>[CH3:1][CH:2]1[C:3](=[O:21])[CH2:4][CH2:5][NH:6][C:7]2=[CH:15][C:14](=[O:16])[CH:13]([CH2:17][C:18](=[O:19])[NH:22][c:23]3[cH:24][c:25]4[c:26]([cH:27][n:28]3)[CH2:29][C:30]3([CH2:31]4)[C:32](=[O:40])[NH:33][c:34]4[n:35][cH:36][cH:37][cH:38][c:39]43)[c:12]3[c:8]2[n:9]1[cH:10][n:11]3

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 57974077(+/-)-3-amino-5,7-dihydrospiro[cyclopenta[c]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-oneHCID 66636442(8-Methyl-2,7-dioxo-5,6,7,8-tetrahydro-4H-imidazo[1,5,4-fg][1,6]-benzodiazocin-1(2H)-yl)acetic acid

Product 1

HCID 672757312-(8-Methyl-2,7-dioxo-5,6,7,8-tetrahydro-4H-imidazo[1,5,4-fg][1,6]benzodiazocin-1(2H)-yl)-N-(2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[c]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-3-yl)acetamide

Sources & evidence

ORD record
ord-e9e431a7d1094382a4899fd9641850c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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