HRID1537833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(C)(C)[Si](C)(C)OCCNc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

HCID57558110

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(NCCO)cc12

HCID23156792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-996bba43d5d541719eaec7b87a14bb39
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:24]([Si:25]([CH3:26])([CH3:27])[O:29][CH2:30][CH2:31][NH:32][c:33]1[cH:34][cH:35][c:36]2[cH:37][c:38](-[c:44]3[c:45]([C:50]([F:51])([F:52])[F:53])[cH:46][cH:47][cH:48][cH:49]3)[nH:39][c:40](=[O:43])[c:41]2[cH:42]1)([CH3:28])([CH3:54])[CH3:55].[CH2:19]1[O:20][CH2:21][CH2:22][CH2:23]1.[CH2:2]([N+:3]([CH2:4][CH2:5][CH2:6][CH3:7])([CH2:8][CH2:9][CH2:10][CH3:11])[CH2:12][CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl-:56].[F-:1].[NH4+:57]>>[OH:29][CH2:30][CH2:31][NH:32][c:33]1[cH:34][cH:35][c:36]2[cH:37][c:38](-[c:44]3[c:45]([C:50]([F:51])([F:52])[F:53])[cH:46][cH:47][cH:48][cH:49]3)[nH:39][c:40](=[O:43])[c:41]2[cH:42]1