HRID2328502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID3283

Diethyl Ether

C4H10O

HCID4219896

N-Boc-2-isothiocyanatoethylamine

C8H14N2O2S

结构：COc1cc2c(cc1CNC1CCCNC1c1ccccc1)N(C)C(=O)CC2

HCID10199731

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1CNC1CCCN(C(=S)NCCNC(=O)OC(C)(C)C)C1c1ccccc1)N(C)C(=O)CC2

HCID86587884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7feddaed2c74b89a9d2fdbd8ca90e4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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