HRID1137138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10387

Benzyl chloroformate

C8H7ClO2

HCID11205

Carbon tetrabromide

CBr4

HCID11776

Triphenylphosphine

C18H15P

HCID58293281

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)OCc2ccccc2)C12CCCN(C(=O)OC(C)(C)C)C2

HCID58293304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39eef1f48aa241b0bfef10e5cd49ea83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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