Acetic Acid → HCID 178420089, compound

HRID 1571662Notes

Reaction equation

HRID 1571662 reaction equation
[CH3:87][C:88](=[O:89])[OH:90].[OH2:91].[c:1]1(-[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:2][cH:3][c:4]([CH2:7][O:8][CH2:9][CH:10]2[CH2:11][c:12]3[c:13]([n:14]([C:17]([c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:15][n:16]3)[CH2:36][CH2:37]2)[cH:5][cH:6]1.[c:44]1(-[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][c:53]([CH2:54][O:55][CH2:56][CH:57]2[CH2:58][CH2:59][c:60]3[n:61][cH:62][n:63]([C:64]([c:65]4[cH:66][cH:67][cH:68][cH:69][cH:70]4)([c:71]4[cH:72][cH:73][cH:74][cH:75][cH:76]4)[c:77]4[cH:78][cH:79][cH:80][cH:81][cH:82]4)[c:83]3[CH2:84]2)[cH:85][cH:86]1>>[c:1]1(-[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:2][cH:3][c:4]([CH2:7][O:8][CH2:9][CH:10]2[CH2:11][c:12]3[c:13]([nH:14][cH:15][n:16]3)[CH2:36][CH2:37]2)[cH:5][cH:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23001254HCID 23001254, compoundHCID 23001271HCID 23001271, compound

Product 1

HCID 178420089HCID 178420089, compound

Sources & evidence

ORD record
ord-a4a109433e544af5a301bcb406e2da51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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