HRID2127568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID120989

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

C7H11N3O2

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=C1NC(=O)C2(CCN(C(=O)NC3CCC(c4cccc(F)c4F)Cn4c(CC(F)(F)F)cnc43)CC2)N1

HCID178518392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cd6ceac63434ad2940e88af1e525bb2
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

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