HRID1114072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID10774253

2,2,2-Trifluoro-N-(piperidin-4-yl)acetamide

C7H11F3N2O

结构：CCNC(=O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)O)nc32)C(O)C1O

HCID178464995

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)N4CCC(NC(=O)C(F)(F)F)CC4)nc32)C(O)C1O

HCID178464980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1231fcc108c34557853b6cdbc31e8db5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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