HRID197242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID8068

1-Butanamine, N-methyl-

C5H13N

HCID14222

Triisobutylamine

C12H27N

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：CCC(C(=CCCCCCCCCCCO)c1ccc(OC)cc1)c1ccc(OC)cc1

HCID54234780

未命名化合物

PRODUCTS

生成物

结构：CCCCN(C)C(=O)CCCCCCCCCC=C(c1ccc(OC)cc1)C(CC)c1ccc(OC)cc1

HCID54103883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-577a66354c824bb28441163bd750e2d5
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

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