HRID2331013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

HCID26888

Methyl acetimidate

C3H7NO

反应SMILES：COC(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1

HCID67214737

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：COC(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCNC(C)=N)c1ccccc1

HCID178495562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-186df8f925674c9f88311b9c65ddb54c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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