HRID1225386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)c1sc(N2CCC(NC(=O)c3nc(Cl)c(CC)[nH]3)C(OC(C)C)C2)nc1C(=O)NCCOC

HCID68417334

ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-propan-2-yloxypiperidin-1-yl]-4-(2-methoxyethylcarbamoyl)-1,3-thiazole-5-carboxylate

C24H35ClN6O6S

PRODUCTS

生成物

结构：CCc1[nH]c(C(=O)NC2CCN(c3nc(C(=O)NCCOC)c(C(=O)O)s3)CC2OC(C)C)nc1Cl

HCID68415482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-691b9450031740e0a1eed4e21b0a7804
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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