HRID181545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID120989

1,3,8-triazaspiro[4.5]decane-2,4-dione

C7H11N3O2

HCID130500

未命名化合物

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=C1NC(=O)C2(CCN(C(=O)CC3Cc4cc(Cl)c5[nH]ncc5c4CN(CC(F)(F)F)C3=O)CC2)N1

HCID68963252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d213d576e1d4c169f9af651b28dbe7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[B-:38]([F:39])([F:40])([F:41])[F:42].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[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.[NH:26]1[C:27](=[O:37])[NH:28][C:29](=[O:36])[C:30]12[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]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:33]1[CH2:32][CH2:31][C:30]3([NH:26][C:27](=[O:37])[NH:28][C:29]3=[O:36])[CH2:35][CH2:34]1)[CH2:15]2