4-t-Butylbenzenesulfonyl chloride → 8-Iodo-6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine

HRID 1537507Notes

Reaction equation

HRID 1537507 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:32]([cH:33]1)[N:18]([S:19]([c:20]1[cH:21][cH:22][c:23]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29]1)(=[O:30])=[O:31])[CH2:17][c:16]1[c:7]([n:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1)[NH:6]2.[Br:54][c:55]1[cH:56][cH:57][c:58]2[c:72]([cH:73]1)[NH:71][CH2:70][c:69]1[c:60]([n:61][c:62]([C:63]([F:64])([F:65])[F:66])[cH:67][cH:68]1)[NH:59]2.[C:89]([c:90]1[cH:91][cH:92][c:93]([S:94]([Cl:95])(=[O:96])=[O:97])[cH:98][cH:99]1)([CH3:100])([CH3:101])[CH3:102].[F:74][C:75]([O:76][c:77]1[cH:78][cH:79][c:80]([S:83](=[O:84])(=[O:85])[Cl:86])[cH:81][cH:82]1)([F:87])[F:88].[I:34][c:35]1[cH:36][cH:37][c:38]2[c:39]([cH:53]1)[NH:40][CH2:41][c:42]1[c:43]([n:45][c:46]([C:49]([F:50])([F:51])[F:52])[cH:47][cH:48]1)[NH:44]2>>[I:34][c:35]1[cH:36][cH:37][c:38]2[c:39]([cH:53]1)[N:40]([S:83]([c:80]1[cH:79][cH:78][c:77]([O:76][C:75]([F:74])([F:87])[F:88])[cH:82][cH:81]1)(=[O:84])=[O:85])[CH2:41][c:42]1[c:43]([n:45][c:46]([C:49]([F:50])([F:51])[F:52])[cH:47][cH:48]1)[NH:44]2

Participants

6

Reactant 5

HCID 1398824-t-Butylbenzenesulfonyl chlorideHCID 523102p-(Trifluoromethoxy)benzenesulphonyl chlorideHCID 596186368-bromo-6-[(4-tert-butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepineHCID 669015968-iodo-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepineHCID 669016538-bromo-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine

Product 1

HCID 596187318-Iodo-6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine

Sources & evidence

ORD record
ord-f1f3e2f2b67f4df09384b52766e1ed23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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