HRID1222792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6367

Acetyl chloride

C2H3ClO

结构：C=CCN1C2CCC(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1(c1ccccc1)CC2C(=O)OC(C)(C)C

HCID86586708

未命名化合物

PRODUCTS

生成物

结构：C=CCN1C2CCC(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1(c1ccccc1)CC2C(=O)OC

HCID88039255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad3af0a45b78480293f97bd97fa36581
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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