HRID89482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID7761

Diethyl propanedioate

C7H12O4

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：Cc1cc(Oc2c(Br)cc(N)c(C(F)(F)F)c2Br)cc(C(C)C)c1O

HCID59678433

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(=O)Nc1cc(Br)c(Oc2cc(C)c(O)c(C(C)C)c2)c(Br)c1C(F)(F)F

HCID59678422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e52e0046b97845cca2e8789a37cf1a54
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

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