Hydrochloric Acid → 1-(4-Chlorophenyl)-1,4-diazepane

HRID 201764Notes

Reaction equation

HRID 201764 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[CH2:12][CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[CH2:29]([Cl:30])[Cl:31].[ClH:22].[O:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1>>[NH:8]1[CH2:9][CH2:10][N:11]([c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[CH2:12][CH2:13][CH2:14]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 669683174-(4-Chloro-phenyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Product 1

HCID 213638201-(4-Chlorophenyl)-1,4-diazepane

Sources & evidence

ORD record
ord-7ecdda2d0074442ea5e218305dfdd907
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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