HRID147348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID3612319

4-Biphenylyl isocyanate

C13H9NO

结构：CC1(C)OCc2cc(C3CN(CCCCCCOCCOCc4cccc(N)c4)C(=O)O3)ccc2O1

HCID178431323

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCc2cc(C3CN(CCCCCCOCCOCc4cccc(NC(=O)Nc5ccc(-c6ccccc6)cc5)c4)C(=O)O3)ccc2O1

HCID77195828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa5963e06a224916a3585a3b1d9951b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH:52]([OH:53])([CH3:54])[CH3:55].[Cl:56][CH2:57][Cl:58].[NH2:1][c:2]1[cH:3][c:4]([CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:33])[O:18][CH:19]([c:21]3[cH:22][c:23]4[c:24]([cH:31][cH:32]3)[O:25][C:26]([CH3:29])([CH3:30])[O:27][CH2:28]4)[CH2:20]2)[cH:34][cH:35][cH:36]1.[c:37]1(-[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:38][cH:39][c:40]([N:43]=[C:44]=[O:45])[cH:41][cH:42]1>>[NH:1]([c:2]1[cH:3][c:4]([CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:33])[O:18][CH:19]([c:21]3[cH:22][c:23]4[c:24]([cH:31][cH:32]3)[O:25][C:26]([CH3:29])([CH3:30])[O:27][CH2:28]4)[CH2:20]2)[cH:34][cH:35][cH:36]1)[C:44]([NH:43][c:40]1[cH:39][cH:38][c:37](-[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:42][cH:41]1)=[O:45]