HRID134113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1344

1-Pyrrolidineethanamine

C6H14N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COc1ccc(-c2cc3c(s2)C(=O)N(c2ccc(C(=O)O)c(OC)c2)CC3)cc1

HCID68950145

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cc3c(s2)C(=O)N(c2ccc(C(=O)NCCN4CCCC4)c(OC)c2)CC3)cc1

HCID68949185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ba12774a0e444a49134776a1b8f10ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]([N:12]2[C:13](=[O:29])[c:14]3[c:15]([cH:18][c:19](-[c:21]4[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]4)[s:20]3)[CH2:16][CH2:17]2)[cH:11]1.[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[N:30]1([CH2:35][CH2:36][NH2:37])[CH2:31][CH2:32][CH2:33][CH2:34]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[NH:37][CH2:36][CH2:35][N:30]2[CH2:31][CH2:32][CH2:33][CH2:34]2)[cH:8][cH:9][c:10]([N:12]2[C:13](=[O:29])[c:14]3[c:15]([cH:18][c:19](-[c:21]4[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]4)[s:20]3)[CH2:16][CH2:17]2)[cH:11]1