HRID2349685

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

HCID2779810

tert-Butyl [(5-bromothiophen-2-yl)methyl]carbamate

C10H14BrNO2S

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)s1

HCID18315333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34468699b78f41cbaecadeb68bc6a863
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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