HRID295329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID272002

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

C8H13N3O2

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：CN1C(=O)NC(=O)C12CCN(C(=O)NC1CCC(c3cccc(F)c3F)Cn3c(CC(F)(F)F)cnc31)CC2

HCID178481634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35e0fd2ad9ed48dcaa7f96bffcf809ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:46][N:47]1[C:48](=[O:58])[NH:49][C:50](=[O:57])[C:51]12[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]2.[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:70][CH2:71][Cl:72].[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+:59].[Na+:60].[O-:61][C:62](=[O:63])[O-:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1>>[F:9][c:10]1[c:11]([CH:17]2[CH2:18][CH2:19][CH:20]([NH:32][C:34](=[O:35])[N:54]3[CH2:53][CH2:52][C:51]4([N:47]([CH3:46])[C:48](=[O:58])[NH:49][C:50]4=[O:57])[CH2:56][CH2:55]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]