HRID683545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：OCc1ccc(C2=NCC(c3cc(C(F)(F)F)nc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Br

HCID86664623

未命名化合物

PRODUCTS

生成物

结构：NCc1ccc(C2=NCC(c3cc(C(F)(F)F)nc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Br

HCID86664624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ceab7e2589044ff9a01a0f499a23269d
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

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