HRID1230387

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

HCID66591660

未命名化合物

HCID178525878

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2cc(F)c(F)c(F)c2)CC1)c1cc(-c2ccccc2)[nH]n1

HCID178523523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46a333e8d36843a485e8e4ce311ffb41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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