HRID2315176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID61277

Propane, 2-isocyanato-

C4H7NO

结构：CC1CN(C(=O)OC(C)(C)C)CC2Cc3ccc(COCCO)nc3N12

HCID178430766

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)OCc1ccc2c(n1)N1C(C)CN(C(=O)OC(C)(C)C)CC1C2

HCID69557358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5e70baad16c4f879c0c1f3890d082ef
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([CH2:22][O:23][CH2:24][CH2:25][OH:26])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1.[CH3:37][C:38](=[O:39])[O-:40].[CH3:41][OH:42].[CH:30]([CH3:31])([CH3:32])[N:33]=[C:34]=[O:35].[Cl:27][CH2:28][Cl:29].[NH4+:36].[OH2:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([CH2:22][O:23][C:34]([NH:33][CH:30]([CH3:31])[CH3:32])=[O:35])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1