HRID175128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID398427

未命名化合物

反应SMILES：CC(C)(C)OC(=O)N1CCC(N2CCSc3cc(F)c(N)cc32)CC1

HCID59144114

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CCC(N2CCSc3cc(F)c(NC(=N)c4cccs4)cc32)CC1

HCID178452060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b6da3b1e1a344deb90d7d7ca28d58328
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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