HRID1566534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6497

Dimethyl sulfate

C2H6O4S

HCID8028

Tetrahydrofuran

C4H8O

HCID8900

Heptane

C7H16

HCID166653

Hydride

H-

结构：O=C(NOC1CCCCO1)c1cnc(N2CC3C(C2)C3NS(=O)(=O)c2ccc3ccccc3c2)nc1

HCID59367684

未命名化合物

PRODUCTS

生成物

结构：CN(C1C2CN(c3ncc(C(=O)NOC4CCCCO4)cn3)CC21)S(=O)(=O)c1ccc2ccccc2c1

HCID59367637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91741d5776924d9aad6396d67d3c9f60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:39][O:40][S:41]([O:42][CH3:43])(=[O:44])=[O:45].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Cl-:46].[Cl:60][CH2:61][Cl:62].[H-:2].[NH4+:47].[Na+:1].[cH:3]1[c:4]([S:13](=[O:14])(=[O:15])[NH:16][CH:17]2[CH:18]3[CH2:19][N:20]([c:23]4[n:24][cH:25][c:26]([C:29](=[O:30])[NH:31][O:32][CH:33]5[O:34][CH2:35][CH2:36][CH2:37][CH2:38]5)[cH:27][n:28]4)[CH2:21][CH:22]23)[cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12>>[cH:3]1[c:4]([S:13](=[O:14])(=[O:15])[N:16]([CH:17]2[CH:18]3[CH2:19][N:20]([c:23]4[n:24][cH:25][c:26]([C:29](=[O:30])[NH:31][O:32][CH:33]5[O:34][CH2:35][CH2:36][CH2:37][CH2:38]5)[cH:27][n:28]4)[CH2:21][CH:22]23)[CH3:39])[cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12