HRID186831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID268473

未命名化合物

结构：NC1Cc2cccc(N3CCCC3=O)c2N(Cc2ccsc2)C1=O

HCID59620330

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1Cc2cccc(N3CCCC3=O)c2N(Cc2ccsc2)C1=O

HCID178446771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c97a135665f4e73882392616830c5ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:18]([Cl:19])(=[O:20])[O:21][CH2:22][CH:23]([CH3:24])[CH3:25].[C:26]([CH:27]([CH:28]([C:29]([OH:30])=[O:31])[OH:32])[OH:33])([OH:34])=[O:35].[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[NH:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:16])[OH:17].[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[Cl-:63].[NH2:36][CH:37]1[C:38](=[O:59])[N:39]([CH2:53][c:54]2[cH:55][s:56][cH:57][cH:58]2)[c:40]2[c:41]([N:47]3[C:48](=[O:52])[CH2:49][CH2:50][CH2:51]3)[cH:42][cH:43][cH:44][c:45]2[CH2:46]1.[Na+:61].[Na+:62].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH-:60].[OH2:1].[OH2:69]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[NH:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:17])[NH:36][CH:37]1[C:38](=[O:59])[N:39]([CH2:53][c:54]2[cH:55][s:56][cH:57][cH:58]2)[c:40]2[c:41]([N:47]3[C:48](=[O:52])[CH2:49][CH2:50][CH2:51]3)[cH:42][cH:43][cH:44][c:45]2[CH2:46]1