HRID210304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID2756370

1-Boc-3-aminopyrrolidine

C9H18N2O2

结构：COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)nc5)nn34)ccnc2c1

HCID57691346

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(OCc3nnc4ccc(-c5ccc(NC6CCN(C(=O)OC(C)(C)C)C6)nc5)nn34)ccnc2c1

HCID57690912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e759e5f1edab4e9f92ac9d1564d15f92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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