HRID183214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID15671041

2,8-Diazaspiro[4.5]decane-1,3-dione

C8H12N2O2

结构：NC1CCC(c2cccc(F)c2F)Cn2c(CC(F)(F)F)cnc21

HCID69175829

未命名化合物

PRODUCTS

生成物

结构：O=C1CC2(CCN(C(=O)NC3CCC(c4cccc(F)c4F)Cn4c(CC(F)(F)F)cnc43)CC2)C(=O)N1

HCID178515384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5528e2c105da4853af72996b7324a345
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

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