HRID1571292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID3280088

未命名化合物

结构：CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CP(=O)(c1ccccc1)c1ccccc1

HCID9937035

N-{5-[(Diphenylphosphoryl)methyl]-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl}-N-methylmethanesulfonamide

C28H29FN3O3PS

HCID178502695

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)CC1CC(C=Cc2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)OC(C)(C)O1

HCID178502694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6413a0a29aa4ee7bcde6fca21e198e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:78]([O:79][CH2:80][CH3:81])(=[O:82])[CH3:83].[CH3:55][Si:56]([N-:57][Si:58]([CH3:59])([CH3:60])[CH3:61])([CH3:62])[CH3:63].[CH3:72][CH2:73][CH2:74][CH2:75][CH2:76][CH3:77].[CH:38](=[O:39])[CH:40]1[CH2:41][CH:42]([CH2:48][C:49](=[O:50])[N:51]([CH3:52])[O:53][CH3:54])[O:43][C:44]([CH3:46])([CH3:47])[O:45]1.[Cl-:65].[NH4+:66].[Na+:64].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[c:1]1([P:2](=[O:3])([c:4]2[cH:5][cH:6][cH:7][cH:31][cH:32]2)[CH2:8][c:9]2[c:10](-[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[n:11][c:12]([N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH3:23])[n:13][c:14]2[CH:15]([CH3:16])[CH3:17])[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH:8]([c:9]1[c:10](-[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[n:11][c:12]([N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH3:23])[n:13][c:14]1[CH:15]([CH3:16])[CH3:17])=[CH:38][CH:40]1[CH2:41][CH:42]([CH2:48][C:49](=[O:50])[N:51]([CH3:52])[O:53][CH3:54])[O:43][C:44]([CH3:46])([CH3:47])[O:45]1