Potassium Cation → Carbamic acid, N-[(7R)-6,7-dihydro-5-[(4-methoxyphenyl)methyl]-6-oxo-5H-dibenz[b,d]azepin-7-yl]-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

HRID 311482Notes

Reaction equation

HRID 311482 reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[Cl:34][C:35](=[O:36])[O:37][CH:38]1[CH2:39][CH:40]([CH3:47])[CH2:41][CH2:42][CH:43]1[CH:44]([CH3:45])[CH3:46].[K+:28].[K+:29].[NH2:2][CH:3]1[c:4]2[c:5]([cH:24][cH:25][cH:26][cH:27]2)-[c:6]2[c:7]([cH:20][cH:21][cH:22][cH:23]2)[N:8]([CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[C:9]1=[O:10].[O-:30][C:31]([O-:32])=[O:33].[OH2:1]>>[NH:2]([CH:3]1[c:4]2[c:5]([cH:24][cH:25][cH:26][cH:27]2)-[c:6]2[c:7]([cH:20][cH:21][cH:22][cH:23]2)[N:8]([CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[C:9]1=[O:10])[C:35](=[O:36])[O:37][CH:38]1[CH2:39][CH:40]([CH3:47])[CH2:41][CH2:42][CH:43]1[CH:44]([CH3:45])[CH3:46]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 151928Menthyl chloroformateHCID 210725617-Amino-5-(4-methoxybenzyl)-5,7-dihydro-6H-dibenzo[b,d]azepin-6-one

Product 1

HCID 75039196Carbamic acid, N-[(7R)-6,7-dihydro-5-[(4-methoxyphenyl)methyl]-6-oxo-5H-dibenz[b,d]azepin-7-yl]-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

Sources & evidence

ORD record
ord-4a6eaf4b617341608bc755e678379447
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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