HRID1238461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

4 次

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

结构：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)cnnc2cc1OCC1CCNCC1

HCID10296729

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)cnnc2cc1OCC1CCN(C)CC1

HCID10114835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c85182e89811493b8d6302ea3e8d8aee
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

[BH4-:40].[C:42]([OH:43])(=[O:44])[CH3:45].[C:46]([OH:47])(=[O:48])[CH3:49].[C:50]([OH:51])(=[O:52])[CH3:53].[CH2:38]=[O:39].[CH2:54]([Cl:55])[Cl:56].[CH3:34][C:35](=[O:36])[O-:37].[CH3:57][OH:58].[CH3:59][C:60](=[O:61])[OH:62].[F:1][c:2]1[c:3]2[cH:4][c:5]([CH3:32])[nH:6][c:7]2[cH:8][cH:9][c:10]1[O:11][c:12]1[cH:13][n:14][n:15][c:16]2[cH:17][c:18]([O:24][CH2:25][CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[c:19]([O:22][CH3:23])[cH:20][c:21]12.[Na+:33].[Na+:41]>>[F:1][c:2]1[c:3]2[cH:4][c:5]([CH3:32])[nH:6][c:7]2[cH:8][cH:9][c:10]1[O:11][c:12]1[cH:13][n:14][n:15][c:16]2[cH:17][c:18]([O:24][CH2:25][CH:26]3[CH2:27][CH2:28][N:29]([CH3:34])[CH2:30][CH2:31]3)[c:19]([O:22][CH3:23])[cH:20][c:21]12