Dimethylformamide → 13-cyclohexyl-6-[1-cyclopropyl-4-(2,6-dimethylmorpholine-4-carbonyl)-3-propan-2-ylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

HRID 149557Notes

Reaction equation

HRID 149557 reaction equation
[CH3:74][CH:75]1[O:76][CH:77]([CH3:81])[CH2:78][NH:79][CH2:80]1.[CH:25]1([c:31]2[c:32]3[cH:33][cH:34][c:35]([C:65]([NH:66][S:67](=[O:68])(=[O:69])[CH:70]([CH3:71])[CH3:72])=[O:73])[cH:36][c:37]3[n:38]3[c:39]2-[c:40]2[c:41]([cH:59][c:60]([O:63][CH3:64])[cH:61][cH:62]2)[CH:42]=[C:43]([c:45]2[c:46]([C:56](=[O:57])[OH:58])[c:47]([CH:53]([CH3:54])[CH3:55])[n:48][n:49]2[CH:50]2[CH2:51][CH2:52]2)[CH2:44]3)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1.[CH:82]([N:83]([CH2:84][CH3:85])[CH:86]([CH3:87])[CH3:88])([CH3:89])[CH3:90].[O:91]=[CH:92][N:93]([CH3:94])[CH3:95].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH:25]1([c:31]2[c:32]3[cH:33][cH:34][c:35]([C:65]([NH:66][S:67](=[O:68])(=[O:69])[CH:70]([CH3:71])[CH3:72])=[O:73])[cH:36][c:37]3[n:38]3[c:39]2-[c:40]2[c:41]([cH:59][c:60]([O:63][CH3:64])[cH:61][cH:62]2)[CH:42]=[C:43]([c:45]2[c:46]([C:56](=[O:58])[N:79]4[CH2:78][CH:77]([CH3:81])[O:76][CH:75]([CH3:74])[CH2:80]4)[c:47]([CH:53]([CH3:54])[CH3:55])[n:48][n:49]2[CH:50]2[CH2:51][CH2:52]2)[CH2:44]3)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1108622,6-DimethylmorpholineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 579537375-(13-cyclohexyl-10-((isopropylsulfonyl)carbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl)-1-cyclopropyl-3-isopropyl-1H-pyrazole-4-carboxylic acid

Product 1

HCID 17848711913-cyclohexyl-6-[1-cyclopropyl-4-(2,6-dimethylmorpholine-4-carbonyl)-3-propan-2-ylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

Sources & evidence

ORD record
ord-0f3ddef058fa4b20933d77e6d2051667
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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