Phosgene → 2-(2-Hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)isoindoline-1,3-dione

HRID 184427Notes

Reaction equation

HRID 184427 reaction equation
[Cl:30][C:31](=[O:32])[Cl:33].[O:34]=[C:35]1[O:36][CH:37]([CH2:53][N:54]2[C:55](=[O:56])[c:57]3[c:58]([cH:59][cH:60][cH:61][cH:62]3)[C:63]2=[O:64])[CH2:38][N:39]1[c:40]1[cH:41][cH:42][c:43]([N:46]2[C:47](=[O:52])[CH2:48][O:49][CH2:50][CH2:51]2)[cH:44][cH:45]1.[OH:1][CH:2]([CH2:3][N:4]1[C:5](=[O:14])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[C:12]1=[O:13])[CH2:15][NH:16][c:17]1[cH:18][cH:19][c:20]([N:23]2[C:24](=[O:29])[CH2:25][O:26][CH2:27][CH2:28]2)[cH:21][cH:22]1>>[O:34]=[C:35]1[O:36][CH:37]([CH2:53][NH2:54])[CH2:38][N:39]1[c:40]1[cH:41][cH:42][c:43]([N:46]2[C:47](=[O:52])[CH2:48][O:49][CH2:50][CH2:51]2)[cH:44][cH:45]1.[OH:1][CH:2]([CH2:3][N:4]1[C:5](=[O:14])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[C:12]1=[O:13])[CH2:15][NH:16][c:17]1[cH:18][cH:19][c:20]([N:23]2[C:24](=[O:29])[CH2:25][O:26][CH2:27][CH2:28]2)[cH:21][cH:22]1

Participants

5

Reactant 3

HCID 6371PhosgeneHCID 221747512-({2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dioneHCID 221747532-(2-Hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)isoindoline-1,3-dione

Product 2

HCID 221747532-(2-Hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)isoindoline-1,3-dioneHCID 221747544-{4-[5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-YL]phenyl}morpholin-3-one

Sources & evidence

ORD record
ord-9967a156b6114503a83e2eee79096fd0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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