HRID664186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8021

Diethylamine

C4H11N

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1cc(Nc2cc3cc(C(=O)O)ccc3c(OC(C)C)n2)n[nH]1

HCID57799470

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc2c(OC(C)C)nc(Nc3cc(C)[nH]n3)cc2c1

HCID57799794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45de00729866439ea486586de9d93a2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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