HRID139852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(C)OC(=O)NC(CO)Cc1ccc(OC2CCN(C(=O)OCc3ccccc3)CC2)cc1

HCID178453752

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CCl)Cc1ccc(OC2CCN(C(=O)OCc3ccccc3)CC2)cc1

HCID178453499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a993025e94434ebaa7803e4b63f93b7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH:16]2[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:20][CH2:21]2)[cH:32][cH:33]1)[CH2:34][OH:35].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][S:44]([Cl:45])(=[O:46])=[O:47].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl-:49].[Cl:50][CH2:51][Cl:52].[Li+:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH:16]2[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:20][CH2:21]2)[cH:32][cH:33]1)[CH2:34][Cl:45]