HRID294841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID12185

Ethyl mercaptoacetate

C4H8O2S

HCID69902

2-Nitro-4-(trifluoromethyl)benzonitrile

C8H3F3N2O2

HCID94429

Triphosgene

C3Cl6O3

HCID105034

Isocyanate

CNO-

HCID10803345

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID10803345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0345e38ee66441a6a5ab8b4e40244913
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

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