HRID2312796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID4769782

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid

C13H18N2O2

结构：Nc1ccc(Oc2ccc3c(c2)CCC(c2ccc(F)cc2)O3)nc1

HCID17978566

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc(C(=O)Nc3ccc(Oc4ccc5c(c4)CCC(c4ccc(F)cc4)O5)nc3)cc2)CC1

HCID69017912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e7f0ee54b6c4ae3b55090d074f489b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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