HRID2158091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID66057

2-Methylpiperazine

C5H12N2

结构：Nc1ncc(-c2nc(N3CCOCC3)c3nc(Cl)n(CC4CC4)c3n2)cn1

HCID59333519

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3n2CC2CC2)CCN1

HCID66804130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fee0c1b2a86447428539651115352e19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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