HRID685800

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID1132863

2-Furan-2-yl-ethylamine

C6H9NO

结构：CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)O

HCID14802503

未命名化合物

PRODUCTS

生成物

结构：CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccco1

HCID86747501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcddc45b792b4c5887bf22971bb965f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:74][CH2:75][O:76][CH2:77][CH3:78].[CH:1]12[CH:2]([O:11][C:12](=[O:13])[NH:14][C:15]([CH2:16][c:17]3[cH:18][nH:19][c:20]4[cH:21][cH:22][cH:23][cH:24][c:25]34)([C:26](=[O:27])[OH:28])[CH3:29])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[ClH:41].[ClH:60].[OH2:30].[OH2:79].[OH:31][n:32]1[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1.[o:61]1[c:62]([CH2:66][CH2:67][NH2:68])[cH:63][cH:64][cH:65]1>>[CH:1]12[CH:2]([O:11][C:12](=[O:13])[NH:14][C:15]([CH2:16][c:17]3[cH:18][nH:19][c:20]4[cH:21][cH:22][cH:23][cH:24][c:25]34)([C:26](=[O:28])[NH:68][CH2:67][CH2:66][c:62]3[o:61][cH:65][cH:64][cH:63]3)[CH3:29])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2