HRID213822

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)c1nccc(-c2n[nH]c3nc(NC4CCC(NC(=O)OC(C)(C)C)CC4)ncc23)n1

HCID178504618

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(Nc1nccc(-c2n[nH]c3nc(NC4CCC(NC(=O)OC(C)(C)C)CC4)ncc23)n1)c1cccc(Cl)c1

HCID178453676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32ca86a34f164e4daa660b798f675875
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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