HRID204048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

结构：O=C(CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)N1CCN(c2ccc(N3CC(COc4ccon4)OC3=O)cc2F)CC1

HCID57186108

未命名化合物

PRODUCTS

生成物

结构：O=C(CCc1c[nH]cn1)N1CCN(c2ccc(N3CC(COc4ccon4)OC3=O)cc2F)CC1

HCID178520513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33abab6f0b3c4fc7873063909ad87280
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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