HRID1132755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28486

Lithium ion

Li+

HCID62324

Propanoyl chloride

C3H5ClO

结构：CC(C)(C)OC(=O)NC1CCCN(c2c(Br)cnc3[nH]cc(N)c23)C1

HCID60205580

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)Nc1c[nH]c2ncc(Br)c(N3CCCC(NC(=O)OC(C)(C)C)C3)c12

HCID60205614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77133b78b5f14d0da9a8c0fc87e089d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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