Tetrahydrofuran → Benzeneacetic acid, 3-[[[(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)amino]carbonyl]amino]-, methyl ester

HRID 2141173Notes

Reaction equation

HRID 2141173 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][N:2]1[C:3](=[O:32])[CH:4]([NH:19][C:20]([O:22][c:21]2[cH:23][cH:24][c:25]([N+:26]([O-:27])=[O:28])[cH:29][cH:30]2)=[O:31])[N:5]=[C:6]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[CH3:33][O:34][C:35]([CH2:36][c:37]1[cH:38][c:39]([NH2:43])[cH:40][cH:41][cH:42]1)=[O:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51]>>[CH3:1][N:2]1[C:3](=[O:32])[CH:4]([NH:19][C:20](=[O:22])[NH:43][c:39]2[cH:38][c:37]([CH2:36][C:35]([O:34][CH3:33])=[O:44])[cH:42][cH:41][cH:40]2)[N:5]=[C:6]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 10387971HCID 10387971, compoundHCID 13054266Methyl 3-aminophenylacetate

Product 1

HCID 44356697Benzeneacetic acid, 3-[[[(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)amino]carbonyl]amino]-, methyl ester

Sources & evidence

ORD record
ord-b7b8687a1afd4e788baf2d17900cce9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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