HRID2312004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID81531

Diisopropylethylamine

C8H19N

HCID2735636

4-[(tert-Butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid

C11H16N2O4

HCID11379828

METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLATE

C11H17N3O4

PRODUCTS

生成物

结构：COC(=O)c1nc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cn1C

HCID58945300

Methyl 4-[[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylate

C17H23N5O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b71280149634b1baf3aa9d98ea234c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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