HRID162926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID53486828

2,4-Dichloro-7-(4-methylbenzene-1-sulfonyl)-7H-pyrrolo[2,3-d]pyrimidine

C13H9Cl2N3O2S

HCID178434350

未命名化合物

PRODUCTS

产物

HCID178427345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e98ba22f07a8497ea77cc58747c89751
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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