HRID958351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID712

Formaldehyde

CH2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

结构：Cn1c(C(C)(C)C)cc(=NC(=O)c2cc(C(F)(F)F)ccc2OCC2CCN2C(=O)OC(C)(C)C)n1CC1CCCO1

HCID178480276

未命名化合物

PRODUCTS

生成物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：CN1CCC1COc1ccc(C(F)(F)F)cc1C(=O)N=c1cc(C(C)(C)C)n(C)n1CC1CCCO1

HCID178479987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef7625dfd1a44b779265d7c9fece058c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7](=[N:17][C:18](=[O:19])[c:20]2[c:21]([O:22][CH2:23][CH:24]3[N:25]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:26][CH2:27]3)[cH:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]2)[n:8]([CH2:11][CH:12]2[O:13][CH2:14][CH2:15][CH2:16]2)[n:9]1[CH3:10].[CH2:43]=[O:44].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH:45]([OH:46])=[O:47].[c:48]1([CH3:58])[cH:49][cH:50][c:51]([S:54](=[O:55])(=[O:56])[OH:57])[cH:52][cH:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7](=[N:17][C:18](=[O:19])[c:20]2[c:21]([O:22][CH2:23][CH:24]3[N:25]([CH3:28])[CH2:26][CH2:27]3)[cH:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]2)[n:8]([CH2:11][CH:12]2[O:13][CH2:14][CH2:15][CH2:16]2)[n:9]1[CH3:10].[c:48]1([CH3:58])[cH:49][cH:50][c:51]([S:54](=[O:55])(=[O:56])[OH:57])[cH:52][cH:53]1