HRID90363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69108731

tert-Butyl [2-amino-2-(3-chlorophenyl)ethyl]carbamate

C13H19ClN2O2

结构：CS(=O)(=O)c1nccc(-c2n[nH]c3nc(NCCN4CCOCC4)ncc23)n1

HCID178504845

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(Nc1nccc(-c2n[nH]c3nc(NCCN4CCOCC4)ncc23)n1)c1cccc(Cl)c1

HCID178453678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ca6be2194b3420b884660680d1cf2f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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