HRID1240712

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

HCID12453839

tert-Butyl [(4-bromophenyl)methyl]carbamate

C12H16BrNO2

HCID22226605

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

C9H11ClN2O2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(C(=O)c2cc(Cl)ccc2N)cc1

HCID18315364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf62a785b2dd4a3d9005c3157a2108e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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