HRID1235754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID4418606

3,4-Methylenedioxyphenethyl isocyanate

C10H9NO3

HCID16750277

2-(1H-Imidazol-1-yl)-4-methyl-6-(pyrrolidin-2-yl)pyrimidine

C12H15N5

PRODUCTS

产物

反应SMILES：Cc1cc(C2CCCN2C(=O)NCCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1

HCID11531856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d245d982574d46368b739658d7a511c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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