HRID2159989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID49760350

1'H-Spiro[piperidine-4,4'-quinazolin]-2'(3'H)-one

C12H15N3O

结构：O=C(O)CC1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O

HCID68892316

未命名化合物

PRODUCTS

生成物

结构：O=C1Nc2ccccc2C2(CCN(C(=O)CC3Cc4cc(Cl)c5[nH]ncc5c4CN(CC(F)(F)F)C3=O)CC2)N1

HCID73159935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-866e29bb93824b54918da65c088b71f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[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