HRID1223439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2733170

N-Boc-1,6-diaminohexane

C11H24N2O2

结构：Cc1cccc2c(=O)nc(-c3cccc(C(=O)O)n3)sc12

HCID22939375

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc2c(=O)nc(-c3cccc(C(=O)NCCCCCCNC(=O)OC(C)(C)C)n3)sc12

HCID22939618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f1d87c92b9b482382b69b24b6d45f3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[NH:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][NH2:36].[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7](=[O:21])[n:8][c:9](-[c:12]3[cH:13][cH:14][cH:15][c:16]([C:18](=[O:19])[OH:20])[n:17]3)[s:10][c:11]12.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:58].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7](=[O:21])[n:8][c:9](-[c:12]3[cH:13][cH:14][cH:15][c:16]([C:18](=[O:20])[NH:36][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][NH:29][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[n:17]3)[s:10][c:11]12