Water → Water

HRID 1538134Notes

Reaction equation

HRID 1538134 reaction equation
[CH2:18]([CH3:19])[O:20][c:21]1[cH:22][c:23]([CH2:24][C:25]2=[NH+:26][CH2:27][CH2:28][c:29]3[cH:30][c:31]([O:38][CH2:39][CH3:40])[c:32]([O:35][CH2:36][CH3:37])[cH:33][c:34]32)[cH:41][cH:42][c:43]1[O:44][CH2:45][CH3:46].[CH2:47]([O:48][c:49]1[cH:50][c:51]([CH2:58][C:59]2=[N:74][CH2:73][CH2:72][c:61]3[c:60]2[cH:71][c:67]([O:68][CH2:69][CH3:70])[c:63]([O:64][CH2:65][CH3:66])[cH:62]3)[cH:52][cH:53][c:54]1[O:55][CH2:56][CH3:57])[CH3:75].[OH2:93].[n:1]1([CH3:17])[c:2](=[O:3])[c:5]2[n:6]([CH2:7][C:8]([O-:9])=[O:10])[cH:11][n:12][c:13]2[n:14]([CH3:15])[c:16]1=[O:4].[n:76]1([CH3:77])[c:78](=[O:79])[n:80]([CH3:81])[c:82]2[n:83][cH:84][n:85]([CH2:89][C:90](=[O:91])[OH:92])[c:86]2[c:87]1=[O:88]>>[CH2:18]([CH3:19])[O:20][c:21]1[cH:22][c:23]([CH2:24][C:25]2=[NH+:26][CH2:27][CH2:28][c:29]3[cH:30][c:31]([O:38][CH2:39][CH3:40])[c:32]([O:35][CH2:36][CH3:37])[cH:33][c:34]32)[cH:41][cH:42][c:43]1[O:44][CH2:45][CH3:46].[OH2:4].[n:76]1([CH3:77])[c:78](=[O:79])[n:80]([CH3:81])[c:82]2[n:83][cH:84][n:85]([CH2:89][C:90](=[O:91])[O-:92])[c:86]2[c:87]1=[O:88]

Participants

8

Reactant 5

HCID 962WaterHCID 13492HCID 13492, compoundHCID 69550AcefyllineHCID 6921842HCID 6921842, compoundHCID 21246588HCID 21246588, compound

Product 3

HCID 962WaterHCID 6921842HCID 6921842, compoundHCID 21246588HCID 21246588, compound

Sources & evidence

ORD record
ord-543d2170fa344c22bfd4426a4b1ade30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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