HRID164324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2756043

tert-Butyl {[3-(aminomethyl)phenyl]methyl}carbamate

C13H20N2O2

HCID4628831

3-Aminobenzylamine

C7H10N2

HCID12516905

未命名化合物

HCID136054489

未命名化合物

PRODUCTS

生成物

结构：Cc1csc2nc(C(=O)NCc3cccc(CNC(=O)OC(C)(C)C)c3)[nH]c(=O)c12

HCID57708747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-705f73cb262646f1aa170dfcff6847d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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