HRID1240871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID3301

Ethylenediamine

C2H8N2

HCID6331

Borane

H3B

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

2 次

结构：COCCC1CN(C2=Nc3ccccc3Nc3sc(C(F)(F)F)nc32)CCN1C(=O)CF

HCID136394875

未命名化合物

PRODUCTS

生成物

结构：COCCC1CN(C2=Nc3ccccc3Nc3sc(C(F)(F)F)nc32)CCN1CCF

HCID136384200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1093b208cdda4e029e61cb97f59c961e
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

[BH3:6].[CH3:39][OH:40].[Cl:51][CH2:52][Cl:53].[F:7][CH2:8][C:9](=[O:10])[N:11]1[CH:12]([CH2:35][CH2:36][O:37][CH3:38])[CH2:13][N:14]([C:17]2=[N:18][c:19]3[c:20]([cH:31][cH:32][cH:33][cH:34]3)[NH:21][c:22]3[s:23][c:24]([C:27]([F:28])([F:29])[F:30])[n:25][c:26]32)[CH2:15][CH2:16]1.[NH2:41][CH2:42][CH2:43][NH2:44].[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:50]>>[F:7][CH2:8][CH2:9][N:11]1[CH:12]([CH2:35][CH2:36][O:37][CH3:38])[CH2:13][N:14]([C:17]2=[N:18][c:19]3[c:20]([cH:31][cH:32][cH:33][cH:34]3)[NH:21][c:22]3[s:23][c:24]([C:27]([F:28])([F:29])[F:30])[n:25][c:26]32)[CH2:15][CH2:16]1