HRID317955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)NC(C(=O)O)C(c1ccccc1)c1ccccc1

HCID3487654

2-Boc-amino-3,3-diphenyl propionic acid

C20H23NO4

结构：CC(C)CN(C(CO)CCCCN)S(=O)(=O)c1ccc(F)c(N)c1

HCID18008997

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(C(CO)CCCCNC(=O)C(NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(F)c(N)c1

HCID67531857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f45b79ce60c48fe993e7ddcb0ada647
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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