HRID125183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID702

Ethanol

C2H6O

HCID3520

Guanidine

CH5N3

HCID6386

tert-Butyl alcohol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID14100

3-Anilinopropionitrile

C9H10N2

结构：Cn1ccc2c(OCOCC[Si](C)(C)C)cc(C=O)cc21

HCID22742876

未命名化合物

结构：Cn1ccc2c(OCOCC[Si](C)(C)C)cc(Cc3cnc(N)nc3N)cc21

HCID69922453

未命名化合物

PRODUCTS

生成物

HCID22742890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b68af0e7cce842faa0dbc8086a2d467b
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

[CH3:1][n:2]1[cH:3][cH:4][c:5]2[c:6]([O:20][CH2:21][O:22][CH2:23][CH2:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[cH:7][c:8]([CH2:11][c:12]3[c:13]([NH2:19])[n:14][c:15]([NH2:18])[n:16][cH:17]3)[cH:9][c:10]12.[CH3:29][n:30]1[c:31]2[c:32]([c:33]([O:34][CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][c:44]([CH:45]=[O:46])[cH:47]2)[cH:48][cH:49]1.[CH3:66][C:67]([OH:68])([CH3:69])[CH3:70].[CH3:71][S:72]([CH3:73])=[O:74].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[CH3:81][CH2:82][OH:83].[ClH:61].[NH2:62][C:63]([NH2:64])=[NH:65].[NH:50]([CH2:51][CH2:52][C:53]#[N:54])[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[CH3:1][n:2]1[cH:3][cH:4][c:5]2[c:6]([OH:20])[cH:7][c:8]([CH2:11][c:12]3[c:13]([NH2:19])[n:14][c:15]([NH2:18])[n:16][cH:17]3)[cH:9][c:10]12