Toluene → (Rac)-4-(3-hydroxy-1-methoxycarbonyl-propyl)-5-oxo-[1,4]diazepane-1-carboxylic acid benzyl ester

HRID 165024Notes

Reaction equation

HRID 165024 reaction equation
[B:41]([Cl:42])([Cl:43])[Cl:44].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([CH:19]([CH2:20][CH2:21][O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[C:30](=[O:31])[O:32][CH3:33])[C:15](=[O:18])[CH2:16][CH2:17]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl:45][CH2:46][Cl:47]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([CH:19]([CH2:20][CH2:21][OH:22])[C:30](=[O:31])[O:32][CH3:33])[C:15](=[O:18])[CH2:16][CH2:17]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 25135Boron TrichlorideHCID 77221737Benzyl 4-(1-methoxy-1-oxo-4-phenylmethoxybutan-2-yl)-5-oxo-1,4-diazepane-1-carboxylate

Product 1

HCID 67080666(Rac)-4-(3-hydroxy-1-methoxycarbonyl-propyl)-5-oxo-[1,4]diazepane-1-carboxylic acid benzyl ester

Sources & evidence

ORD record
ord-7c03b576ae2f44bea867bd949c85d73d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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