HRID140217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID9483

3-(Trifluoromethyl)phenyl isocyanate

C8H4F3NO

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

结构：CC(=O)OCc1nccc(Oc2ccc3[nH]c(C)cc3c2F)n1

HCID67433093

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1nccc(Oc2ccc3c(cc(C)n3C(=O)Nc3cccc(C(F)(F)F)c3)c2F)n1

HCID59394198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9e9289978d7411187e78d8873e80ee4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:11]([CH3:12])(=[O:13])[O:14][CH2:15][c:16]1[n:17][cH:18][cH:19][c:20]([O:22][c:23]2[c:24]([F:33])[c:25]3[cH:26][c:27]([CH3:32])[nH:28][c:29]3[cH:30][cH:31]2)[n:21]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:2][Si:3]([N-:4][Si:5]([CH3:6])([CH3:7])[CH3:8])([CH3:9])[CH3:10].[Cl-:47].[Li+:1].[N:34](=[C:35]=[O:36])[c:37]1[cH:38][c:39]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:41][cH:42]1.[NH4+:48].[OH2:54]>>[C:11]([CH3:12])(=[O:13])[O:14][CH2:15][c:16]1[n:17][cH:18][cH:19][c:20]([O:22][c:23]2[c:24]([F:33])[c:25]3[cH:26][c:27]([CH3:32])[n:28]([C:35]([NH:34][c:37]4[cH:38][c:39]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:41][cH:42]4)=[O:36])[c:29]3[cH:30][cH:31]2)[n:21]1