1,2-Dichloroethane → N-[4-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide

HRID 1145847Notes

Reaction equation

HRID 1145847 reaction equation
[CH2:73]([Cl:74])[CH2:75][Cl:76].[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:6][S:7]([OH:8])(=[O:9])=[O:10].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[NH2:11][CH:12]1[CH2:13][c:14]2[c:15]([c:16]3[cH:17][n:18][nH:19][c:20]3[c:21]([Cl:23])[cH:22]2)[CH2:24][N:25]([CH2:28][C:29]([F:30])([F:31])[F:32])[C:26]1=[O:27].[O:33]=[C:34]1[NH:35][c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[C:42]12[CH2:43][c:44]1[c:45]([cH:46][n:47][c:48]([C:50](=[O:51])[OH:52])[cH:49]1)[CH2:53]2.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH:63][n:64]1[c:65]2[c:66]([cH:67][cH:68][cH:69][cH:70]2)[n:71][n:72]1>>[NH:11]([CH:12]1[CH2:13][c:14]2[c:15]([c:16]3[cH:17][n:18][nH:19][c:20]3[c:21]([Cl:23])[cH:22]2)[CH2:24][N:25]([CH2:28][C:29]([F:30])([F:31])[F:32])[C:26]1=[O:27])[C:50]([c:48]1[n:47][cH:46][c:45]2[c:44]([cH:49]1)[CH2:43][C:42]1([C:34](=[O:33])[NH:35][c:36]3[n:37][cH:38][cH:39][cH:40][c:41]31)[CH2:53]2)=[O:51]

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 6395Methanesulfonic Acid2×HCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 57974027(+/-)-2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[c]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acidHCID 673197737-Amino-4-chloro-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

Product 1

HCID 74380393N-[4-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide

Sources & evidence

ORD record
ord-0440aa4a238940da99bdb571cac51119
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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