HRID2137997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID813

Potassium cation

K+

HCID3614

Tele-methylhistamine

C6H11N3

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(NCCCl)ccc1Cl

HCID11417653

未命名化合物

PRODUCTS

生成物

结构：Cn1cnc(CCNCCNc2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)c1

HCID10116086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbdcebb064ed459ba3ccd34fdb0a56a7
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

[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH3:26][n:27]1[cH:28][c:29]([CH2:30][CH2:31][NH2:32])[n:33][cH:34]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]23[CH2:9][CH:10]4[CH2:11][CH:12]([CH2:13][CH:14]([CH2:15]2)[CH2:16]4)[CH2:17]3)[cH:18][c:19]([NH:22][CH2:23][CH2:24][Cl:25])[cH:20][cH:21]1.[I-:45].[K+:44]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]23[CH2:9][CH:10]4[CH2:11][CH:12]([CH2:13][CH:14]([CH2:15]2)[CH2:16]4)[CH2:17]3)[cH:18][c:19]([NH:22][CH2:23][CH2:24][NH:32][CH2:31][CH2:30][c:29]2[cH:28][n:27]([CH3:26])[cH:34][n:33]2)[cH:20][cH:21]1