HRID113488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID66591548

未命名化合物

HCID178524124

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1cc(-c2cccc(O)c2)[nH]n1

HCID178523511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f19cc590d20144f48808c178c97da200
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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