Water → HCID 178457996, compound

HRID 1535391Notes

Reaction equation

HRID 1535391 reaction equation
[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH:29]([CH3:30])([CH3:31])[N:32]=[C:33]=[O:34].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([N:13]3[C:14](=[O:26])[O:15][CH:16]([CH2:24][OH:25])[CH:17]3[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:11][cH:12]2)[cH:27][cH:28]1.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:35]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([N:13]3[C:14](=[O:26])[O:15][CH:16]([CH2:24][O:25][C:33]([NH:32][CH:29]([CH3:30])[CH3:31])=[O:34])[CH:17]3[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:11][cH:12]2)[cH:27][cH:28]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 61277Isopropyl isocyanateHCID 178519195HCID 178519195, compound

Product 1

HCID 178457996HCID 178457996, compound

Sources & evidence

ORD record
ord-51038261c70e4506b95ddd27adb89553
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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