HRID214119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID12476

Benzoic acid, 2-amino-5-chloro-

C7H6ClNO2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11701760

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CNC(=O)CNC(=O)c2cc(Cl)ccc2N)CC1

HCID18426183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33354e2b2703447886ab3a42d2a8749e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[Cl:61][CH2:62][Cl:63].[NH2:1][CH2:2][C:3](=[O:4])[NH:5][CH2:6][CH:7]1[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1.[NH2:27][c:28]1[c:29]([C:30](=[O:31])[OH:32])[cH:33][c:34]([Cl:37])[cH:35][cH:36]1.[Na+:60].[OH-:59].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1>>[NH:1]([CH2:2][C:3](=[O:4])[NH:5][CH2:6][CH:7]1[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1)[C:30]([c:29]1[c:28]([NH2:27])[cH:36][cH:35][c:34]([Cl:37])[cH:33]1)=[O:31]