HRID2156986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID69185

Ethanone, 1-phenyl-, oxime

C8H9NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CNc1c(S(=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

HCID11430864

未命名化合物

PRODUCTS

生成物

结构：CC(=NOC(=O)N(C)c1c(S(=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccccc1

HCID86626067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd959022428f4dd9bfc8bf31da50af3b
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

[C:28]([CH3:29])([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[N:36][OH:37].[C:66]([O:67][CH2:68][CH3:69])(=[O:70])[CH3:71].[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[CH3:72][CH2:73][CH2:74][CH2:75][CH2:76][CH2:77][CH3:78].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[c:3](-[n:13]2[n:14][c:15]([C:26]#[N:27])[c:16]([S:20](=[O:21])[C:22]([F:23])([F:24])[F:25])[c:17]2[NH:18][CH3:19])[c:4]([Cl:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Cl:47][C:48]([Cl:49])=[O:50].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH2:65]>>[Cl:1][c:2]1[c:3](-[n:13]2[n:14][c:15]([C:26]#[N:27])[c:16]([S:20](=[O:21])[C:22]([F:23])([F:24])[F:25])[c:17]2[N:18]([CH3:19])[C:48]([O:37][N:36]=[C:28]([CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)=[O:50])[c:4]([Cl:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1