Water → N-{2-[3-(Aminomethyl)benzyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}-5-chloro-2-thiophenecarboxamide

HRID 1238618Notes

Reaction equation

HRID 1238618 reaction equation
[CH:45]([Cl:46])([Cl:47])[Cl:48].[Cl:9][c:10]1[cH:11][cH:12][c:13]([C:15](=[O:16])[NH:17][c:18]2[c:19]3[c:23]([cH:24][cH:25][cH:26]2)[C:22](=[O:27])[N:21]([CH2:28][c:29]2[cH:30][c:31]([CH2:32][NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:41][cH:42][cH:43]2)[C:20]3=[O:44])[s:14]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[OH2:8]>>[Cl:9][c:10]1[cH:11][cH:12][c:13]([C:15](=[O:16])[NH:17][c:18]2[c:19]3[c:23]([cH:24][cH:25][cH:26]2)[C:22](=[O:27])[N:21]([CH2:28][c:29]2[cH:30][c:31]([CH2:32][NH2:33])[cH:41][cH:42][cH:43]2)[C:20]3=[O:44])[s:14]1

Participants

5

Reactant 4

HCID 962WaterHCID 6212ChloroformHCID 6422Trifluoroacetic acidHCID 22337050tert-Butyl 3-[(4-{[(5-chloro-2-thienyl)carbonyl]amino}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzylcarbamate

Product 1

HCID 22337012N-{2-[3-(Aminomethyl)benzyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}-5-chloro-2-thiophenecarboxamide

Sources & evidence

ORD record
ord-bc3820f0dbc34431b9c2f83ec17941d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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