HRID2337306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6422

未命名化合物

HCID7412

Benzoyl chloride

C7H5ClO

结构：CC(C)(C)OC(=O)NC1CCCCC1C(=O)N1CCCC2C(c3ccccc3)Nc3ccccc3C21

HCID178452699

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCCCC1C(=O)N1CCCC2C(c3ccccc3)Nc3ccccc3C21)c1ccccc1

HCID178521944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e52fbca2f5d4374adef9675394c42e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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