HRID2127283

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8140

1-Bromooctane

C8H17Br

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)N1Cc2cc(O)ccc2CC1C(=O)O

HCID381020

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C(=O)O)C2

HCID21182274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7e722d6ecbe40d98b80541819d7e941
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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