Dichloromethane → 1'-[2-[4-Chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetyl]spiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one

HRID 2159989Notes

Reaction equation

HRID 2159989 reaction equation
[B-:42]([F:43])([F:44])([F:45])[F:46].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]13)[CH2:11][N:12]([CH2:21][C:22]([F:23])([F:24])[F:25])[C:13](=[O:20])[CH:14]([CH2:16][C:17](=[O:18])[OH:19])[CH2:15]2.[Cl:71][CH2:72][Cl:73].[NH:26]1[C:27](=[O:41])[NH:28][C:29]2([CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]21.[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]13)[CH2:11][N:12]([CH2:21][C:22]([F:23])([F:24])[F:25])[C:13](=[O:20])[CH:14]([CH2:16][C:17](=[O:19])[N:32]1[CH2:31][CH2:30][C:29]3([NH:28][C:27](=[O:41])[NH:26][c:40]4[c:35]3[cH:36][cH:37][cH:38][cH:39]4)[CH2:34][CH2:33]1)[CH2:15]2

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 497603501'H-Spiro[piperidine-4,4'-quinazolin]-2'(3'H)-oneHCID 688923162-[4-Chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetic acid

Product 1

HCID 731599351'-[2-[4-Chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetyl]spiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one

Sources & evidence

ORD record
ord-866e29bb93824b54918da65c088b71f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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