HRID299030

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

HCID16732741

未命名化合物

HCID57874442

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2cc(F)ccc2Cl)CC1)c1ccc(-c2ccccc2)cn1

HCID44233022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6efc1d2a697e4cef8aa33c3dff45c6a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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