Water → HCID 10205969, compound

HRID 169486Notes

Reaction equation

HRID 169486 reaction equation
[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl:35][CH2:36][C:37](=[O:38])[Cl:39].[Cl:40][CH2:41][Cl:42].[NH2:1][C:2]1=[C:11]([C:12]#[N:13])[CH:10]([c:14]2[cH:15][c:16]([Br:24])[c:17]([O:22][CH3:23])[c:18]([O:20][CH3:21])[cH:19]2)[c:9]2[c:4]([cH:5][c:6]([NH2:25])[cH:7][cH:8]2)[O:3]1.[OH2:43]>>[NH2:1][C:2]1=[C:11]([C:12]#[N:13])[CH:10]([c:14]2[cH:15][c:16]([Br:24])[c:17]([O:22][CH3:23])[c:18]([O:20][CH3:21])[cH:19]2)[c:9]2[c:4]([cH:5][c:6]([NH:25][C:37]([CH2:36][Cl:35])=[O:38])[cH:7][cH:8]2)[O:3]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 6577Chloroacetyl chlorideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 10294498HCID 10294498, compound

Product 1

HCID 10205969HCID 10205969, compound

Sources & evidence

ORD record
ord-a0b7f4637c874ac19945c2b5b9e68cff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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