HRID288912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8082

Piperidine

C5H11N

HCID30165

Iodide ion

I-

结构：Cc1c(-c2ccc(OCc3ccccc3)cc2)n(Cc2ccc(OCCCCl)cc2)c2ccc(OCc3ccccc3)cc12

HCID12133138

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccc(OCc3ccccc3)cc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2ccc(OCc3ccccc3)cc12

HCID10211676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7c1c341c192478eb5554f743bb87e3f
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

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