HRID194089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID1068

Dimethyl sulfide

C2H6S

HCID8857

Ethyl acetate

C4H8O2

HCID5360545

Sodium

结构：CCCc1c(COc2ccc(Cc3nnn(CCCBr)n3)cc2)ccc(C(C)=O)c1O

HCID14458166

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(COc2ccc(Cc3nnn(CCCSC)n3)cc2)ccc(C(C)=O)c1O

HCID14458175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c605d1e0d414ee98d060ff0235cef63
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

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