HRID1129225

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

HCID962

Water

H2O

HCID3520

Guanidine

CH5N3

HCID6386

tert-Butyl alcohol

C4H10O

HCID14100

3-Anilinopropionitrile

C9H10N2

HCID22742926

未命名化合物

HCID69920554

未命名化合物

PRODUCTS

产物

HCID22742919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-05e9ca86583b4586a1e0f7eefe53fcc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[c:5]2[cH:6][cH:7][n:8]([CH2:22][O:23][CH2:24][CH2:25][Si:26]([CH3:27])([CH3:28])[CH3:29])[c:9]2[cH:10][c:11]([CH2:13][c:14]2[c:15]([NH2:21])[n:16][c:17]([NH2:20])[n:18][cH:19]2)[cH:12]1.[CH2:30]([O:31][c:32]1[cH:33][c:34]([CH:35]=[O:36])[cH:37][c:38]2[c:39]1[cH:40][cH:41][n:42]2[CH2:43][O:44][CH2:45][CH2:46][Si:47]([CH3:48])([CH3:49])[CH3:50])[CH3:51].[CH3:68][C:69]([OH:70])([CH3:71])[CH3:72].[CH3:73][S:74]([CH3:75])=[O:76].[CH3:77][CH2:78][OH:79].[ClH:63].[NH2:64][C:65]([NH2:66])=[NH:67].[NH:52]([CH2:53][CH2:54][C:55]#[N:56])[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[OH2:80]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]2[cH:6][cH:7][nH:8][c:9]2[cH:10][c:11]([CH2:13][c:14]2[c:15]([NH2:21])[n:16][c:17]([NH2:20])[n:18][cH:19]2)[cH:12]1