HRID298493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8082

Piperidine

C5H11N

HCID8454

N-Methylpyrrolidine

C5H11N

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)c1sc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)C(OCC)C2)nc1-c1cnc(Cl)cn1

HCID72274524

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1sc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)C(OCC)C2)nc1-c1cnc(N2CCCCC2)cn1

HCID67431337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-961320fca7c5494181c931e0f118e5c7
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

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