HRID2127089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID7408

(1-Aminoethyl)benzene

C8H11N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(C(=O)N1CCC2C1C(C(=O)O)CN2S(C)(=O)=O)C1CCCCC1

HCID67281695

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1CN(S(C)(=O)=O)C2CCN(C(=O)C(NC(=O)OC(C)(C)C)C3CCCCC3)C12)c1ccccc1

HCID67282347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ec786cf8bbc467bb19ea1beebf17ad1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[N:12]1[CH2:13][CH2:14][CH:15]2[N:16]([S:23](=[O:24])(=[O:25])[CH3:26])[CH2:17][CH:18]([C:20](=[O:21])[OH:22])[CH:19]12)[CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[CH2:42]([Cl:43])[CH2:44][Cl:45].[CH3:33][CH:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[NH2:41].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:65][CH2:66][Cl:67].[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[N:12]1[CH2:13][CH2:14][CH:15]2[N:16]([S:23](=[O:24])(=[O:25])[CH3:26])[CH2:17][CH:18]([C:20](=[O:22])[NH:41][CH:34]([CH3:33])[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH:19]12)[CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1