HRID100953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

4 次

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID14922222

4,6-Dimethylpyrimidine-5-carboxylic acid

C7H8N2O2

结构：CCOC1Cc2cc(Br)ccc2C1N1CCN(C2(C)CCNCC2)CC1C

HCID178465773

未命名化合物

PRODUCTS

生成物

结构：CCOC1Cc2cc(Br)ccc2C1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1C

HCID178465774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a55d94dee14141c9aef589cf3ce2fb1e
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

[Br:4][c:5]1[cH:6][c:7]2[c:11]([cH:12][cH:13]1)[CH:10]([N:14]1[CH:15]([CH3:27])[CH2:16][N:17]([C:20]3([CH3:26])[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[CH2:18][CH2:19]1)[CH:9]([O:28][CH2:29][CH3:30])[CH2:8]2.[CH2:71]([Cl:72])[Cl:73].[CH3:31][c:32]1[n:33][cH:34][n:35][c:36]([CH3:41])[c:37]1[C:38](=[O:39])[OH:40].[CH3:43][N:44]([CH3:45])[CH2:46][CH2:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH3:53].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH3:74][OH:75].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[ClH:1].[ClH:2].[ClH:3].[ClH:42].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[Br:4][c:5]1[cH:6][c:7]2[c:11]([cH:12][cH:13]1)[CH:10]([N:14]1[CH:15]([CH3:27])[CH2:16][N:17]([C:20]3([CH3:26])[CH2:21][CH2:22][N:23]([C:38]([c:37]4[c:32]([CH3:31])[n:33][cH:34][n:35][c:36]4[CH3:41])=[O:39])[CH2:24][CH2:25]3)[CH2:18][CH2:19]1)[CH:9]([O:28][CH2:29][CH3:30])[CH2:8]2