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Ammonium → 10-chloro-2,7-dimethyl-2,3,5,11b-tetrahydro-11b-phenyloxazolo[3,2-d][1,4]benzodiazepin-6(7H)-one

HRID 304875
Notes
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Reaction equation

HRID 304875 reaction equation
[Al+3:22].[CH2:25]1[CH:26]([CH3:27])[O:28]1.[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[Cl-:21].[Cl-:23].[Cl-:24].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:20]1)[C:7]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)=[N:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12].[NH4+:29].[OH-:30].[OH2:31].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:20]1)[C:7]1([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[N:8]([CH2:9][C:10](=[O:13])[N:11]2[CH3:12])[CH2:25][CH:26]([CH3:27])[O:28]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 223AmmoniumHCID 241BenzeneHCID 312Chloride3×HCID 961HydroxideHCID 962WaterHCID 3016DiazepamHCID 6378Propylene OxideHCID 8058
Hexane
HCID 104727Aluminum Cation

Product 1

HCID 2140999110-chloro-2,7-dimethyl-2,3,5,11b-tetrahydro-11b-phenyloxazolo[3,2-d][1,4]benzodiazepin-6(7H)-one

Sources & evidence

ORD record
ord-cade20ea753f4e0890a04a6a068f9128
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes