HRID825331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(C)c(-c2nc(C(=O)O)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)n1

HCID18405673

未命名化合物

HCID53837338

Phenylmethyl 5-amino-2-methylbenzoate

C15H15NO2

PRODUCTS

生成物

结构：Cc1cc(C)c(-c2nc(C(=O)Nc3ccc(C)c(C(=O)OCc4ccccc4)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)n1

HCID69686718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42d8a4b6c51141a7aa3d391545f11391
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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