Methanol → HCID 178499763, compound

HRID 691558Notes

Reaction equation

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

Participants

Reactant 4

HCID 887Methanol

HCID 8471Triethylamine

HCID 8857Ethyl Acetate

HCID 178499766HCID 178499766, compound

Product 1

HCID 178499763HCID 178499763, compound

Sources & evidence

ORD record: ord-74360ed31f724b2f8199eb379636b75a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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