HRID1122403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID498716

未命名化合物

结构：CC(C)NC1CCC(N2CCC(CC3(c4cccc(C(F)(F)F)c4)OCCO3)C2=O)C(CS(=O)(=O)c2ccccc2)C1

HCID69039942

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C)C1CCC(N2CCC(CC3(c4cccc(C(F)(F)F)c4)OCCO3)C2=O)C(CS(=O)(=O)c2ccccc2)C1

HCID69034657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b3e75242c6448a5a4e378edb51830f8
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:45]([BH3-:46])#[N:47].[CH2:43]=[O:44].[CH3:49][OH:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH:1]([CH3:2])([CH3:3])[NH:4][CH:5]1[CH2:6][CH:7]([CH2:33][S:34](=[O:35])(=[O:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH:8]([N:11]2[C:12](=[O:32])[CH:13]([CH2:16][C:17]3([c:22]4[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]4)[O:18][CH2:19][CH2:20][O:21]3)[CH2:14][CH2:15]2)[CH2:9][CH2:10]1.[Na+:48]>>[CH:1]([CH3:2])([CH3:3])[N:4]([CH:5]1[CH2:6][CH:7]([CH2:33][S:34](=[O:35])(=[O:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH:8]([N:11]2[C:12](=[O:32])[CH:13]([CH2:16][C:17]3([c:22]4[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]4)[O:18][CH2:19][CH2:20][O:21]3)[CH2:14][CH2:15]2)[CH2:9][CH2:10]1)[CH3:45]