HRID1553368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID3549191

Propane-2-sulfonamide

C3H9NO2S

结构：CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)O)NC(=O)C2CC(Oc3nccc4ccccc34)CN2C1=O

HCID72427434

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)NC(=O)C12CC1C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(Oc3nccc4ccccc34)CC1C(=O)N2

HCID68751777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8b6081cdb0f4af6b4141d253861d518
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH:17]2[CH2:18][C:19]2([C:41](=[O:42])[OH:43])[NH:20][C:21](=[O:40])[CH:22]2[CH2:23][CH:24]([O:29][c:30]3[n:31][cH:32][cH:33][c:34]4[cH:35][cH:36][cH:37][cH:38][c:39]34)[CH2:25][N:26]2[C:27]1=[O:28].[C:44]([n:45]1[cH:46][cH:47][n:48][cH:49]1)([n:50]1[cH:51][cH:52][n:53][cH:54]1)=[O:55].[CH2:63]1[CH2:64][CH2:65][C:66]2=[N:71][CH2:70][CH2:69][CH2:68][N:67]2[CH2:72][CH2:73]1.[CH2:74]1[O:75][CH2:76][CH2:77][CH2:78]1.[CH2:81]([Cl:82])[Cl:83].[CH3:79][OH:80].[CH:56]([CH3:57])([CH3:58])[S:59](=[O:60])(=[O:61])[NH2:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH:17]2[CH2:18][C:19]2([C:41](=[O:42])[NH:62][S:59]([CH:56]([CH3:57])[CH3:58])(=[O:60])=[O:61])[NH:20][C:21](=[O:40])[CH:22]2[CH2:23][CH:24]([O:29][c:30]3[n:31][cH:32][cH:33][c:34]4[cH:35][cH:36][cH:37][cH:38][c:39]34)[CH2:25][N:26]2[C:27]1=[O:28]