HRID97072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID61277

Propane, 2-isocyanato-

C4H7NO

结构：CC(C)(C)n1c(-c2cc(O)ccc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21

HCID58542027

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)Oc1ccc(-n2cncn2)c(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c1

HCID67225677

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff6cf754fb8c4b30abf93490603085df
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

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