Phenylboronic Acid → 2-(3-Chloro-phenyl)-3-phenyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene

HRID 2148796Notes

Reaction equation

HRID 2148796 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][c:11]2[c:12](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[n:13](-[c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][cH:23]3)[n:14][c:15]2[CH2:16][CH2:17]1)([CH3:5])([CH3:6])[CH3:7].[C:31]([O:32][C:33]([N:34]1[CH2:35][CH2:36][c:37]2[c:38]([c:39]([O:40][S:41]([C:42]([F:43])([F:44])[F:45])(=[O:46])=[O:47])[n:48](-[c:49]3[cH:50][cH:51][cH:52][c:53]([Cl:54])[cH:55]3)[n:56]2)[CH2:57][CH2:58]1)=[O:59])([CH3:60])([CH3:61])[CH3:62].[Cl:63][c:64]1[cH:65][c:66]([NH:67][NH2:68])[cH:69][cH:70][cH:71]1.[OH:72][B:73]([c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[OH:80]>>[NH:8]1[CH2:9][CH2:10][c:11]2[c:12](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[n:13](-[c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][cH:23]3)[n:14][c:15]2[CH2:16][CH2:17]1

Participants

5

Reactant 4

HCID 66827Phenylboronic AcidHCID 75332(3-Chlorophenyl)hydrazineHCID 672696502-(3-Chloro-phenyl)-3-phenyl-4,5,7,8-tetrahydro-2H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl esterHCID 865983822-(3-chloro-phenyl)-3-trifluoromethanesulfonyloxy-4,5,7,8-tetrahydro-2H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester

Product 1

HCID 248716162-(3-Chloro-phenyl)-3-phenyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene

Sources & evidence

ORD record
ord-70c332cdb6464360aac2747213fa3308
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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