Water → HCID 91418477, compound

HRID 2337096Notes

Reaction equation

[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][NH:6]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[Cl:7][CH2:8][C:9](=[O:10])[O:11][CH:12]1[C:13]([CH3:54])([O:55][CH:56]([CH3:57])[O:58][CH2:59][CH3:60])[CH2:14][CH2:15][CH:16]([O:48][CH:49]([CH3:50])[O:51][CH2:52][CH3:53])[CH2:17][C:18](=[O:19])[O:20][CH:21]([C:26](=[CH:27][CH:28]=[CH:29][CH:30]([CH2:31][CH:32]2[CH:33]([CH:34]([CH:35]([CH2:36][CH3:37])[O:38][CH:39]([CH3:40])[O:41][CH2:42][CH3:43])[CH3:44])[O:45]2)[CH3:46])[CH3:47])[CH:22]([CH3:25])[CH:23]=[CH:24]1.[OH2:67]>>[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][N:6]1[CH2:8][C:9](=[O:10])[O:11][CH:12]1[C:13]([CH3:54])([O:55][CH:56]([CH3:57])[O:58][CH2:59][CH3:60])[CH2:14][CH2:15][CH:16]([O:48][CH:49]([CH3:50])[O:51][CH2:52][CH3:53])[CH2:17][C:18](=[O:19])[O:20][CH:21]([C:26](=[CH:27][CH:28]=[CH:29][CH:30]([CH2:31][CH:32]2[CH:33]([CH:34]([CH:35]([CH2:36][CH3:37])[O:38][CH:39]([CH3:40])[O:41][CH2:42][CH3:43])[CH3:44])[O:45]2)[CH3:46])[CH3:47])[CH:22]([CH3:25])[CH:23]=[CH:24]1

Participants

Reactant 5

HCID 962Water

HCID 6228Dimethylformamide

HCID 8083Morpholine

HCID 8857Ethyl Acetate

HCID 91024137HCID 91024137, compound

Product 1

HCID 91418477HCID 91418477, compound

Sources & evidence

ORD record: ord-d69010ee75fc415e8aa400669c525db6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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