HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Dimethyl Sulfoxide → 3-(N-acetyl-N-(3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propyl)-amino)benzoic acid ethyl ester

HRID 694137
Notes
Print preview

Reaction equation

HRID 694137 reaction equation
[CH2:22]([CH3:23])[O:24][C:25]([c:26]1[cH:27][c:28]([NH:32][C:33]([CH3:34])=[O:35])[cH:29][cH:30][cH:31]1)=[O:36].[CH2:39]([C:40]([CH3:41])=[O:42])[CH3:43].[CH3:44][S:45](=[O:46])[CH3:47].[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[H-:37].[I-:21].[K+:20].[Na+:38].[OH2:48]>>[CH2:2]([CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[N:32]([c:28]1[cH:27][c:26]([C:25]([O:24][CH2:22][CH3:23])=[O:36])[cH:31][cH:30][cH:29]1)[C:33]([CH3:34])=[O:35]
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 923Sodium IonHCID 962WaterHCID 6569Methyl Ethyl KetoneHCID 30165Iodide IonHCID 166653Hydride
HCID 286779
5-(3-Chloropropyl)-10,11-dihydro-5H-dibenz[b,f]azepine
HCID 700589Ethyl 3-acetamidobenzoate

Product 1

HCID 701960133-(N-acetyl-N-(3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propyl)-amino)benzoic acid ethyl ester

Sources & evidence

ORD record
ord-b67c72f1feed45a2838362c9d562ec3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes