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

Toluene → 3-(Hydroxymethyl)-2,3-dihydro-2-benzazepin-1-one

HRID 1573248
Notes
Print preview

Reaction equation

HRID 1573248 reaction equation
[C:29](#[N:30])[CH3:31].[CH2:18]1[CH2:19][CH2:20][C:21]2=[N:26][CH2:25][CH2:24][CH2:23][N:22]2[CH2:27][CH2:28]1.[CH2:1]([O:3][C:4](=[O:2])[c:5]1[c:6]([CH:11]=[CH:12][CH:13]([CH2:14][OH:15])[NH2:16])[cH:7][cH:8][cH:9][cH:10]1)[CH3:17].[c:32]1([CH3:33])[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[O:3]=[C:4]1[c:5]2[c:6]([cH:7][cH:8][cH:9][cH:10]2)[CH:11]=[CH:12][CH:13]([CH2:14][OH:15])[NH:16]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 1140TolueneHCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 68842871Ethyl 2-(3-amino-4-hydroxybut-1-enyl)benzoate

Product 1

HCID 688392823-(Hydroxymethyl)-2,3-dihydro-2-benzazepin-1-one

Sources & evidence

ORD record
ord-983f096de4c949ffa145ccd684227a53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes