HRID2160122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID3152023

9H-Carbazole-3-carboxylic acid

C13H9NO2

HCID66591548

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1ccc2[nH]c3ccccc3c2c1

HCID57874494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaad1c33ae1741b5979a7898adc49ded
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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