HRID2317567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2782165

6-Chloropyridine-3-carbonyl chloride

C6H3Cl2NO

结构：CNc1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cn1

HCID178482160

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Cl)nc3)nc2)CCN1C(=O)OC(C)(C)C

HCID178430338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-399aaf4f7fa24390850470ee63c420ee
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

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