HRID95103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID12232

Methyl disulfide

C2H6S2

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

结构：CC(C)Cc1nn2ccccc2c1-c1ccnc(NC2CCCC2)n1

HCID10042600

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CSc1cccc2c(-c3ccnc(NC4CCCC4)n3)c(CC(C)C)nn12

HCID10339828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b30e8a2a44db447f8d0df8d5145d1a95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:46][S:47][S:48][CH3:49].[CH:1]1([NH:6][c:7]2[n:8][cH:9][cH:10][c:11](-[c:13]3[c:14]([CH2:22][CH:23]([CH3:24])[CH3:25])[n:15][n:16]4[c:17]3[cH:18][cH:19][cH:20][cH:21]4)[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:26]([N-:27][CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[CH:39]([NH:40][CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Li+:33].[Li:34][CH2:35][CH2:36][CH2:37][CH3:38].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:55]>>[CH:1]1([NH:6][c:7]2[n:8][cH:9][cH:10][c:11](-[c:13]3[c:14]([CH2:22][CH:23]([CH3:24])[CH3:25])[n:15][n:16]4[c:17]3[cH:18][cH:19][cH:20][c:21]4[S:47][CH3:46])[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1