HRID1225349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

结构：O=C1NCCCCC1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID14729218

未命名化合物

PRODUCTS

生成物

结构：O=C1C(NC(c2ccccc2)(c2ccccc2)c2ccccc2)CCCCN1Cc1ccccc1

HCID69431014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0e8f47e826b4386b5a33b307d300a68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][CH:21]1[C:22](=[O:28])[NH:23][CH2:24][CH2:25][CH2:26][CH2:27]1.[C:37]([OH:38])([CH3:39])([CH3:40])[CH3:41].[CH2:49]([N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH3:65].[I-:48].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:42]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][CH:21]1[C:22](=[O:28])[N:23]([CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:24][CH2:25][CH2:26][CH2:27]1