HRID306252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID77666

4-Methoxypiperidine

C6H13NO

结构：COc1cnc2c(Sc3ccc(Nc4nnc(Cl)c5ccccc45)cc3)ccnc2c1

HCID86628664

未命名化合物

PRODUCTS

生成物

结构：COc1cnc2c(Sc3ccc(Nc4nnc(N5CCC(OC)CC5)c5ccccc45)cc3)ccnc2c1

HCID59427357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bf46d3ae5a74c039d220aaf20133f4a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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