HRID697921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID223

Ammonia ion (NH4+)

H4N+

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

结构：COc1cc(N2CCC(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)ccc1Cl

HCID68554777

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCC(C(N)Cn3nc(C(F)(F)F)cc3C)CC2)ccc1Cl

HCID68554454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b2f81bfd3224bb98dc58de8d125d04c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH4-:30].[CH3:34][CH2:35][OH:36].[CH3:40][CH:41]([CH3:42])[O-:43].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:49][CH:50]([CH3:51])[O-:52].[CH3:53][CH:54]([CH3:55])[O-:56].[Cl:1][c:2]1[c:3]([O:27][CH3:28])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([C:14]([CH2:15][n:16]3[n:17][c:18]([C:22]([F:23])([F:24])[F:25])[cH:19][c:20]3[CH3:21])=[O:26])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Cl:37][CH2:38][Cl:39].[NH3:29].[NH4+:33].[Na+:31].[OH-:32].[Ti+4:44]>>[Cl:1][c:2]1[c:3]([O:27][CH3:28])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([CH:14]([CH2:15][n:16]3[n:17][c:18]([C:22]([F:23])([F:24])[F:25])[cH:19][c:20]3[CH3:21])[NH2:29])[CH2:12][CH2:13]2)[cH:6][cH:7]1