HRID281062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11723

未命名化合物

HCID28486

Lithium ion

Li+

HCID98431

5-(Hydroxymethyl)dihydro-2(3H)-furanone

C5H8O3

HCID3280088

未命名化合物

结构：O=C(c1ccc(-c2cc(Cl)c(CBr)c(Cl)c2)cc1)N1CCC(C(F)(F)F)CC1

HCID57672064

未命名化合物

PRODUCTS

生成物

结构：O=C1OC(CO)CC1Cc1c(Cl)cc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2)cc1Cl

HCID178519187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8e63228a84c4dcca44818b2eeecc73c
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

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