Acetic Acid → HCID 178520276, compound

HRID 1147686Notes

Reaction equation

HRID 1147686 reaction equation
[CH3:81][C:82](=[O:83])[OH:84].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][CH2:12][CH:13]2[CH2:14][c:15]3[c:16]([n:17]([C:20]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:18][n:19]3)[CH2:39][CH2:40]2)[cH:6][cH:7]1.[Cl:41][c:42]1[cH:43][cH:44][c:45]([CH2:46][C:47]([NH:48][CH2:49][CH:50]2[CH2:51][CH2:52][c:53]3[n:54][cH:55][n:56]([C:57]([c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)([c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)[c:70]4[cH:71][cH:72][cH:73][cH:74][cH:75]4)[c:76]3[CH2:77]2)=[O:78])[cH:79][cH:80]1.[OH2:85]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][CH2:12][CH:13]2[CH2:14][c:15]3[c:16]([nH:17][cH:18][n:19]3)[CH2:39][CH2:40]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23512858HCID 23512858, compoundHCID 23512877HCID 23512877, compound

Product 1

HCID 178520276HCID 178520276, compound

Sources & evidence

ORD record
ord-c1b7da27f8b644358f953033a208d6ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…