HRID108856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID11448329

Carbamic acid, (4-methoxy-6-methyl-1,3,5-triazin-2-yl)-, phenyl ester

C12H12N4O3

HCID18960413

未命名化合物

PRODUCTS

生成物

结构：COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccn3c2C(=O)OCC3)n1

HCID18960402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdb5c21ed31f40518815d809a851c208
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

[CH2:49]([O:50][CH2:51][CH3:52])[CH3:53].[CH3:15][O:16][c:17]1[n:18][c:19]([NH:24][C:25]([O:26][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)=[O:27])[n:20][c:21]([CH3:23])[n:22]1.[CH3:46][C:47]#[N:48].[ClH:45].[N:34]12[CH2:35][CH2:36][CH2:37][N:38]=[C:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2.[O:1]=[C:2]1[O:3][CH2:4][CH2:5][n:6]2[c:7]1[c:8]([S:11](=[O:12])(=[O:13])[NH2:14])[cH:9][cH:10]2.[OH2:54]>>[O:1]=[C:2]1[O:3][CH2:4][CH2:5][n:6]2[c:7]1[c:8]([S:11](=[O:12])(=[O:13])[NH:14][C:25]([NH:24][c:19]1[n:18][c:17]([O:16][CH3:15])[n:22][c:21]([CH3:23])[n:20]1)=[O:26])[cH:9][cH:10]2