HRID950408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID2734638

1-(2-Methoxyethyl)piperazine

C7H16N2O

结构：O=C(Nc1ccccc1-c1nc2cccnc2s1)c1nc(-c2ccccc2)sc1CCCCl

HCID58551895

未命名化合物

PRODUCTS

生成物

结构：COCCN1CCN(CCCc2sc(-c3ccccc3)nc2C(=O)Nc2ccccc2-c2nc3cccnc3s2)CC1

HCID46245130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5af2cdce450c4101836ecd8409ea9698
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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