HRID1228948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

HCID221095

4-Chloro-1H-pyrazolo[3,4-d]pyrimidine

C5H3ClN4

结构：Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(C(=O)OC(C)(C)C)CC1

HCID66649931

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1

HCID25118925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5086c8bcfe684f4e8d15bf9440d453bb
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

[C:6]([O:7][C:8](=[O:9])[N:13]1[CH2:14][CH2:15][CH:16]([c:19]2[n:20]([CH3:35])[cH:21][c:22](-[c:24]3[cH:25][c:26]([C:31]([F:32])([F:33])[F:34])[c:27]([F:30])[cH:28][cH:29]3)[n:23]2)[CH2:17][CH2:18]1)([CH3:10])([CH3:11])[CH3:12].[CH3:2][C:3](=[O:4])[Cl:5].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:53][OH:54].[CH3:56][S:57]([CH3:58])=[O:59].[Cl:43][c:44]1[c:45]2[c:46]([n:47][cH:48][n:49]1)[nH:50][n:51][cH:52]2.[ClH:1].[OH2:55]>>[N:13]1([c:44]2[c:45]3[c:46]([n:47][cH:48][n:49]2)[nH:50][n:51][cH:52]3)[CH2:14][CH2:15][CH:16]([c:19]2[n:20]([CH3:35])[cH:21][c:22](-[c:24]3[cH:25][c:26]([C:31]([F:32])([F:33])[F:34])[c:27]([F:30])[cH:28][cH:29]3)[n:23]2)[CH2:17][CH2:18]1