Acetic Acid → HCID 10838316, compound

HRID 686688Notes

Reaction equation

HRID 686688 reaction equation
[CH3:1][n:2]1[c:3]([CH2:18][O:19][c:20]2[cH:21][cH:22][c:23]([CH2:24][CH:25]3[C:26](=[O:50])[N:27]([C:31]([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)([c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[C:28](=[O:30])[S:29]3)[cH:51][cH:52]2)[n:4][c:5]2[c:6]1[n:7][c:8]([S:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[cH:9][cH:10]2.[CH3:53][C:54](=[O:55])[OH:56].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[OH2:57]>>[CH3:1][n:2]1[c:3]([CH2:18][O:19][c:20]2[cH:21][cH:22][c:23]([CH2:24][CH:25]3[C:26](=[O:50])[NH:27][C:28](=[O:30])[S:29]3)[cH:51][cH:52]2)[n:4][c:5]2[c:6]1[n:7][c:8]([S:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[cH:9][cH:10]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8857Ethyl AcetateHCID 10723563HCID 10723563, compound

Product 1

HCID 10838316HCID 10838316, compound

Sources & evidence

ORD record
ord-c9d5e99cefd74451a24629c3b5f28119
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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