HRID118783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID3280088

未命名化合物

结构：c1ccc(COCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID6379708

未命名化合物

结构：COC(=O)c1c(C(C)C)nc(N)c(C=O)c1-c1ccc(F)cc1

HCID11438468

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(C(C)C)nc(N)c(C=CCCOCc2ccccc2)c1-c1ccc(F)cc1

HCID91055253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4879006c7680444ea7c67f2ff6dc3515
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:1].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][CH2:10][CH2:11][CH2:12][P+:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:32][Si:33]([N-:34][Si:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])[CH3:40].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[Cl-:65].[NH2:42][c:43]1[c:44]([CH:63]=[O:64])[c:45](-[c:56]2[cH:57][cH:58][c:59]([F:62])[cH:60][cH:61]2)[c:46]([C:52](=[O:53])[O:54][CH3:55])[c:47]([CH:49]([CH3:50])[CH3:51])[n:48]1.[NH4+:66].[Na+:41].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][CH2:10][CH2:11][CH:12]=[CH:63][c:44]1[c:43]([NH2:42])[n:48][c:47]([CH:49]([CH3:50])[CH3:51])[c:46]([C:52](=[O:53])[O:54][CH3:55])[c:45]1-[c:56]1[cH:57][cH:58][c:59]([F:62])[cH:60][cH:61]1