HRID190854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID2724942

未命名化合物

HCID2734903

2-Thiazolecarboxaldehyde

C4H3NOS

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCNCC1

HCID58727827

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(Cc2nccs2)CC1

HCID68676808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-023f38d5e1e24234a63ebd78bd2f67e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1)[cH:31][cH:32][cH:33][cH:34]2.[Cl:63][CH2:64][CH2:65][Cl:66].[ClH:1].[ClH:2].[Na+:62].[O:49]([BH-:50]([O:51][C:52]([CH3:53])=[O:54])[O:55][C:56]([CH3:57])=[O:58])[C:59]([CH3:60])=[O:61].[s:42]1[c:43]([CH:47]=[O:48])[n:44][cH:45][cH:46]1>>[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][N:22]([CH2:47][c:43]3[s:42][cH:46][cH:45][n:44]3)[CH2:23][CH2:24]1)[cH:31][cH:32][cH:33][cH:34]2