HRID97409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

结构：N#Cc1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)cc1OC(F)F

HCID59594780

未命名化合物

PRODUCTS

生成物

结构：N=C(NO)c1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)cc1OC(F)F

HCID178513355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d49ad9b6a49e43a1851c819ecdab3934
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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