Ethyl Acetate → HCID 68406993, compound

HRID 665755Notes

Reaction equation

HRID 665755 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([B:23]3[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]3)[cH:21][cH:22]2)=[O:32])[cH:11][cH:12][cH:13][cH:14]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:33]1([NH:39][C:40]([O:41][CH2:42][c:43]2[cH:44][n:45][c:46]([Cl:48])[s:47]2)=[O:49])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20](-[c:46]3[n:45][cH:44][c:43]([CH2:42][O:41][C:40]([NH:39][CH:33]4[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]4)=[O:49])[s:47]3)[cH:21][cH:22]2)=[O:32])[cH:11][cH:12][cH:13][cH:14]1

Participants

4

Sources & evidence

ORD record
ord-803d3a9320f3473582089802151ba610
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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