HRID1136495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID4018357

[1-(tert-Butoxycarbonyl)pyrrolidin-2-yl]acetic acid

C11H19NO4

结构：COc1ccc(-c2ccc(CNCCCNc3nsc4ccccc34)cc2)cc1

HCID58726830

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(CN(CCCNc3nsc4ccccc34)C(=O)CC3CCCN3C(=O)OC(C)(C)C)cc2)cc1

HCID68461104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c235c90dd4df4fe2928a3b7eee7198f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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