Water → HCID 178468482, compound

HRID 2155939Notes

Reaction equation

HRID 2155939 reaction equation
[C:39](=[O:40])([O:41][CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[NH:49][CH:50]([CH2:51][CH2:52][S:53][CH3:54])[C:55](=[O:56])[OH:57].[CH3:58][C:59]#[N:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[NH2:12][CH:13]1[CH:14]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:15][C:16]2([O:17][CH2:18][CH2:19][O:20]2)[CH2:21][CH2:22]1.[OH2:28].[OH:29][n:30]1[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH:12]([CH:13]1[CH:14]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:15][C:16]2([O:17][CH2:18][CH2:19][O:20]2)[CH2:21][CH2:22]1)[C:55]([CH:50]([NH:49][C:39](=[O:40])[O:41][CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[CH2:51][CH2:52][S:53][CH3:54])=[O:56]

Participants

9

Reactant 8

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 97806N-benzyloxycarbonyl-DL-methionineHCID 14552384HCID 14552384, compound

Product 1

HCID 178468482HCID 178468482, compound

Sources & evidence

ORD record
ord-23c94f8d4c9e4ac6ad5028bdd0a18022
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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