HRID1239486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID73509

3-Aminooxolan-2-one

C4H7NO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)O)cn2)CC1

HCID18362790

未命名化合物

PRODUCTS

生成物

结构：Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC3CCOC3=O)cn2)CC1

HCID9953362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cf64881b01a4ff8b6b30205c49afa79
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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