1-(5-Methyl-1H-pyrazol-3-yl)-1-[6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]ethanol → (5-methyl-1H-pyrazol-3-yl)[6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]methanol

HRID 2311917Notes

Reaction equation

HRID 2311917 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:41]2)[N:14]([S:27](=[O:28])(=[O:29])[c:30]2[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]2)[CH2:15][c:16]2[c:17]([n:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[NH:18]3)[n:5][nH:6]1.[CH3:42][c:43]1[nH:44][n:45][c:46]([C:47]([c:48]2[cH:49][cH:50][c:51]3[c:79]([cH:80]2)[N:64]([S:65]([c:66]2[cH:67][cH:68][c:69]([O:70][C:71]([F:72])([F:73])[F:74])[cH:75][cH:76]2)(=[O:77])=[O:78])[CH2:63][c:62]2[c:53]([n:54][c:55]([C:56]([F:57])([F:58])[F:59])[cH:60][cH:61]2)[NH:52]3)([OH:81])[CH3:82])[cH:83]1>>[CH3:1][c:2]1[cH:3][c:4]([CH:7]([OH:8])[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:41]2)[N:14]([S:27](=[O:28])(=[O:29])[c:30]2[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]2)[CH2:15][c:16]2[c:17]([n:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[NH:18]3)[n:5][nH:6]1

Participants

3

Reactant 2

HCID 596186281-(5-Methyl-1H-pyrazol-3-yl)-1-[6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]ethanolHCID 59618680(5-Methyl-1H-pyrazol-3-yl)[6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]methanone

Product 1

HCID 59618750(5-methyl-1H-pyrazol-3-yl)[6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]methanol

Sources & evidence

ORD record
ord-53824468adca40ce82889cefd712d5e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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