HRID1543384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID66032

Piperidine-1-propanol

C8H17NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)Oc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

HCID58769998

未命名化合物

结构：COc1ccc2c(C3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2c1

HCID58770635

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(NC(=O)N2CCC(c3ncnc4cc(OCCCN5CCCCC5)ccc34)CC2)cc1

HCID58770723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc35231f33f24cdeabc5af3ec708d32a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH:3]([CH3:4])([CH3:5])[O:6][c:7]1[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][CH:19]([c:22]3[n:23][cH:24][n:25][c:26]4[cH:27][c:28]([O:32][CH3:33])[cH:29][cH:30][c:31]34)[CH2:20][CH2:21]2)[cH:11][cH:12]1.[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[K+:2].[N+:53]([c:54]1[cH:55][cH:56][c:57]([O:58][C:59](=[O:60])[NH:61][c:62]2[cH:63][cH:64][c:65]([O:66][CH:67]([CH3:68])[CH3:69])[cH:70][cH:71]2)[cH:72][cH:73]1)([O-:74])=[O:75].[OH-:1].[OH2:76].[OH:34][CH2:35][CH2:36][CH2:37][N:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH:3]([CH3:4])([CH3:5])[O:6][c:7]1[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][CH:19]([c:22]3[n:23][cH:24][n:25][c:26]4[cH:27][c:28]([O:32][CH2:33][CH2:36][CH2:37][N:38]5[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]5)[cH:29][cH:30][c:31]34)[CH2:20][CH2:21]2)[cH:11][cH:12]1