Water → tert-Butyl 3-[(4-{[(5-chloro-2-thienyl)carbonyl]amino}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzylcarbamate

HRID 122671Notes

Reaction equation

HRID 122671 reaction equation
[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[Cl:13][c:14]1[cH:15][cH:16][c:17]([C:19](=[O:20])[NH:21][c:22]2[c:23]3[c:27]([cH:28][cH:29][cH:30]2)[C:26](=[O:31])[NH:25][C:24]3=[O:32])[s:18]1.[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[OH2:74].[OH:33][CH2:34][c:35]1[cH:36][c:37]([CH2:38][NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[cH:47][cH:48][cH:49]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[Cl:13][c:14]1[cH:15][cH:16][c:17]([C:19](=[O:20])[NH:21][c:22]2[c:23]3[c:27]([cH:28][cH:29][cH:30]2)[C:26](=[O:31])[N:25]([CH2:34][c:35]2[cH:36][c:37]([CH2:38][NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[cH:47][cH:48][cH:49]2)[C:24]3=[O:32])[s:18]1

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 2794814tert-Butyl 3-(hydroxymethyl)benzylcarbamateHCID 41357405-Chloro-N-(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)thiophene-2-carboxamide

Product 1

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

Sources & evidence

ORD record
ord-bc85bf2a3dfd410681953384d93893c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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