HRID161586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6919

2-Furancarboxylic acid

C5H4O3

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(NCC(=O)N1CCNCC1)c1ccc(Oc2ccccc2)cc1

HCID59559582

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Oc2ccccc2)cc1

HCID16322921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f74d62f93ef4a69bfa59c2279695040
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

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