HRID109099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8022

Ethyl isocyanate

C3H5NO

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C(=O)c1cc2c(s1)-c1ccc(N)cc1OCC2)c1ccccc1Cl

HCID57900286

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2

HCID44242563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7edb11ae724f42a291808b56acc40d1c
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

[CH2:37]([CH3:38])[N:39]=[C:40]=[O:41].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl-:42].[ClH:27].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:26]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[s:12][c:13]([C:15](=[O:16])[N:17]([CH3:18])[c:19]2[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]2)[cH:14]1.[NH4+:43]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:26]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[s:12][c:13]([C:15](=[O:16])[N:17]([CH3:18])[c:19]2[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]2)[cH:14]1)[C:40]([NH:39][CH2:37][CH3:38])=[O:41]