HRID828050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)c1cccc(NC(=O)NC2CN(C3CCCCC3)c3ccc(C)cc3N(CC(=O)c3ccccc3C)C2=O)c1

HCID21201569

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(c1)N(CC(=O)c1ccccc1C)C(=O)C(NC(=O)Nc1cccc(C(=O)O)c1)CN2C1CCCCC1

HCID21202034

3-[3-[1-(2-toluoylmethyl)-2-oxo-5-cyclohexyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]ureido]benzoic acid

C33H36N4O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07f7c00229b44b69a4c72d33716deda6
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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