HRID126533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID18315328

tert-Butyl [2-(3-bromophenyl)ethyl]carbamate

C13H18BrNO2

HCID22226605

2-Amino-5-chloro-N-methoxy-N-methylbenzamide

C9H11ClN2O2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCc1cccc(C(=O)c2cc(Cl)ccc2N)c1

HCID18315389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d853625ae6bc4832864e1ca4b46485c3
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][c:11]1[cH:12][c:13]([Br:17])[cH:14][cH:15][cH:16]1.[CH2:38]([Li:39])[CH2:40][CH2:41][CH3:42].[CH3:18][N:19]([C:20]([c:21]1[c:22]([NH2:28])[cH:23][cH:24][c:25]([Cl:27])[cH:26]1)=[O:29])[O:30][CH3:31].[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][c:11]1[cH:12][c:13]([C:20]([c:21]2[c:22]([NH2:28])[cH:23][cH:24][c:25]([Cl:27])[cH:26]2)=[O:29])[cH:14][cH:15][cH:16]1